2-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-ethoxypyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-(2-pyridin-2-yloxyethyl)piperazine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyacetic acid;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-(2-pyrrolidin-1-ylethoxy)pyridine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine

C147H191ClF3N29O17 — CID 159074671

IUPAC2-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-ethoxypyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-(2-pyridin-2-yloxyethyl)piperazine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyacetic acid;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-(2-pyrrolidin-1-ylethoxy)pyridine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine
SMILESCC(C)Oc1ccccn1.CCOc1ccccn1.CN(C)CCOc1ccccn1.CN1CCN(CCOc2ccccn2)CC1.CN1CCN(c2ccccn2)CC1.COCCOc1ccccn1.COc1ccccn1.Clc1ccccn1.FC(F)(F)COc1ccccn1.N#Cc1ccccn1.O=C(O)COc1ccccn1.OCCOc1ccccn1.c1ccc(N2CCCC2)nc1.c1ccc(N2CCCCC2)nc1.c1ccc(N2CCOCC2)nc1.c1ccc(OCCN2CCCC2)nc1.c1ccc(OCCN2CCOCC2)nc1.c1ccncc1
InChIInChI=1S/C12H19N3O.C11H16N2O2.C11H16N2O.C10H15N3.C10H14N2.C9H12N2O.C9H14N2O.C9H12N2.C8H11NO2.C8H11NO.C7H6F3NO.C7H7NO3.C7H9NO2.C7H9NO.C6H4N2.C6H7NO.C5H4ClN.C5H5N/c1-14-6-8-15(9-7-14)10-11-16-12-4-2-3-5-13-12;1-2-4-12-11(3-1)15-10-7-13-5-8-14-9-6-13;1-2-6-12-11(5-1)14-10-9-13-7-3-4-8-13;1-12-6-8-13(9-7-12)10-4-2-3-5-11-10;1-4-8-12(9-5-1)10-6-2-3-7-11-10;1-2-4-10-9(3-1)11-5-7-12-8-6-11;1-11(2)7-8-12-9-5-3-4-6-10-9;1-2-6-10-9(5-1)11-7-3-4-8-11;1-10-6-7-11-8-4-2-3-5-9-8;1-7(2)10-8-5-3-4-6-9-8;8-7(9,10)5-12-6-3-1-2-4-11-6;9-7(10)5-11-6-3-1-2-4-8-6;9-5-6-10-7-3-1-2-4-8-7;1-2-9-7-5-3-4-6-8-7;7-5-6-3-1-2-4-8-6;1-8-6-4-2-3-5-7-6;6-5-3-1-2-4-7-5;1-2-4-6-5-3-1/h2-5H,6-11H2,1H3;1-4H,5-10H2;1-2,5-6H,3-4,7-10H2;2-5H,6-9H2,1H3;2-3,6-7H,1,4-5,8-9H2;1-4H,5-8H2;3-6H,7-8H2,1-2H3;1-2,5-6H,3-4,7-8H2;2-5H,6-7H2,1H3;3-7H,1-2H3;1-4H,5H2;1-4H,5H2,(H,9,10);1-4,9H,5-6H2;3-6H,2H2,1H3;1-4H;2-5H,1H3;1-4H;1-5H
InChIKeyHIMYPUNHWMHAFC-UHFFFAOYSA-N
MW2728.78 g/mol
LogP21.92
Rot. Bonds37

About 2-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-ethoxypyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-(2-pyridin-2-yloxyethyl)piperazine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyacetic acid;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-(2-pyrrolidin-1-ylethoxy)pyridine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine

2-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-ethoxypyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-(2-pyridin-2-yloxyethyl)piperazine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyacetic acid;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-(2-pyrrolidin-1-ylethoxy)pyridine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 159074671) has the molecular formula C147H191ClF3N29O17 and a molecular weight of 2728.78 g/mol. Its IUPAC name is 2-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-ethoxypyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-(2-pyridin-2-yloxyethyl)piperazine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyacetic acid;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-(2-pyrrolidin-1-ylethoxy)pyridine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-ethoxypyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-(2-pyridin-2-yloxyethyl)piperazine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyacetic acid;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-(2-pyrrolidin-1-ylethoxy)pyridine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine
PubChem CID159074671
Molecular FormulaC147H191ClF3N29O17
Molecular Weight2728.78 g/mol
Exact Mass2726.46
IUPAC Name2-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-ethoxypyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-(2-pyridin-2-yloxyethyl)piperazine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyacetic acid;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-(2-pyrrolidin-1-ylethoxy)pyridine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine
SMILESCC(C)Oc1ccccn1.CCOc1ccccn1.CN(C)CCOc1ccccn1.CN1CCN(CCOc2ccccn2)CC1.CN1CCN(c2ccccn2)CC1.COCCOc1ccccn1.COc1ccccn1.Clc1ccccn1.FC(F)(F)COc1ccccn1.N#Cc1ccccn1.O=C(O)COc1ccccn1.OCCOc1ccccn1.c1ccc(N2CCCC2)nc1.c1ccc(N2CCCCC2)nc1.c1ccc(N2CCOCC2)nc1.c1ccc(OCCN2CCCC2)nc1.c1ccc(OCCN2CCOCC2)nc1.c1ccncc1
InChIInChI=1S/C12H19N3O.C11H16N2O2.C11H16N2O.C10H15N3.C10H14N2.C9H12N2O.C9H14N2O.C9H12N2.C8H11NO2.C8H11NO.C7H6F3NO.C7H7NO3.C7H9NO2.C7H9NO.C6H4N2.C6H7NO.C5H4ClN.C5H5N/c1-14-6-8-15(9-7-14)10-11-16-12-4-2-3-5-13-12;1-2-4-12-11(3-1)15-10-7-13-5-8-14-9-6-13;1-2-6-12-11(5-1)14-10-9-13-7-3-4-8-13;1-12-6-8-13(9-7-12)10-4-2-3-5-11-10;1-4-8-12(9-5-1)10-6-2-3-7-11-10;1-2-4-10-9(3-1)11-5-7-12-8-6-11;1-11(2)7-8-12-9-5-3-4-6-10-9;1-2-6-10-9(5-1)11-7-3-4-8-11;1-10-6-7-11-8-4-2-3-5-9-8;1-7(2)10-8-5-3-4-6-9-8;8-7(9,10)5-12-6-3-1-2-4-11-6;9-7(10)5-11-6-3-1-2-4-8-6;9-5-6-10-7-3-1-2-4-8-7;1-2-9-7-5-3-4-6-8-7;7-5-6-3-1-2-4-8-6;1-8-6-4-2-3-5-7-6;6-5-3-1-2-4-7-5;1-2-4-6-5-3-1/h2-5H,6-11H2,1H3;1-4H,5-10H2;1-2,5-6H,3-4,7-10H2;2-5H,6-9H2,1H3;2-3,6-7H,1,4-5,8-9H2;1-4H,5-8H2;3-6H,7-8H2,1-2H3;1-2,5-6H,3-4,7-8H2;2-5H,6-7H2,1H3;3-7H,1-2H3;1-4H,5H2;1-4H,5H2,(H,9,10);1-4,9H,5-6H2;3-6H,2H2,1H3;1-4H;2-5H,1H3;1-4H;1-5H
InChIKeyHIMYPUNHWMHAFC-UHFFFAOYSA-N
XLogP21.92
TPSA474.96 Ų
H-Bond Donors2
H-Bond Acceptors45
Rotatable Bonds37
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002728.78
LogP ≤ 521.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-ethoxypyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-(2-pyridin-2-yloxyethyl)piperazine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyacetic acid;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-(2-pyrrolidin-1-ylethoxy)pyridine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-ethoxypyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-(2-pyridin-2-yloxyethyl)piperazine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyacetic acid;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-(2-pyrrolidin-1-ylethoxy)pyridine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-ethoxypyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-(2-pyridin-2-yloxyethyl)piperazine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyacetic acid;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-(2-pyrrolidin-1-ylethoxy)pyridine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine (CID 159074671) is 2-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-ethoxypyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-(2-pyridin-2-yloxyethyl)piperazine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyacetic acid;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-(2-pyrrolidin-1-ylethoxy)pyridine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-ethoxypyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-(2-pyridin-2-yloxyethyl)piperazine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyacetic acid;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-(2-pyrrolidin-1-ylethoxy)pyridine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-ethoxypyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-(2-pyridin-2-yloxyethyl)piperazine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyacetic acid;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-(2-pyrrolidin-1-ylethoxy)pyridine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine is CC(C)Oc1ccccn1.CCOc1ccccn1.CN(C)CCOc1ccccn1.CN1CCN(CCOc2ccccn2)CC1.CN1CCN(c2ccccn2)CC1.COCCOc1ccccn1.COc1ccccn1.Clc1ccccn1.FC(F)(F)COc1ccccn1.N#Cc1ccccn1.O=C(O)COc1ccccn1.OCCOc1ccccn1.c1ccc(N2CCCC2)nc1.c1ccc(N2CCCCC2)nc1.c1ccc(N2CCOCC2)nc1.c1ccc(OCCN2CCCC2)nc1.c1ccc(OCCN2CCOCC2)nc1.c1ccncc1.
What is the InChIKey of 2-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-ethoxypyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-(2-pyridin-2-yloxyethyl)piperazine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyacetic acid;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-(2-pyrrolidin-1-ylethoxy)pyridine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is HIMYPUNHWMHAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.C11H16N2O2.C11H16N2O.C10H15N3.C10H14N2.C9H12N2O.C9H14N2O.C9H12N2.C8H11NO2.C8H11NO.C7H6F3NO.C7H7NO3.C7H9NO2.C7H9NO.C6H4N2.C6H7NO.C5H4ClN.C5H5N/c1-14-6-8-15(9-7-14)10-11-16-12-4-2-3-5-13-12;1-2-4-12-11(3-1)15-10-7-13-5-8-14-9-6-13;1-2-6-12-11(5-1)14-10-9-13-7-3-4-8-13;1-12-6-8-13(9-7-12)10-4-2-3-5-11-10;1-4-8-12(9-5-1)10-6-2-3-7-11-10;1-2-4-10-9(3-1)11-5-7-12-8-6-11;1-11(2)7-8-12-9-5-3-4-6-10-9;1-2-6-10-9(5-1)11-7-3-4-8-11;1-10-6-7-11-8-4-2-3-5-9-8;1-7(2)10-8-5-3-4-6-9-8;8-7(9,10)5-12-6-3-1-2-4-11-6;9-7(10)5-11-6-3-1-2-4-8-6;9-5-6-10-7-3-1-2-4-8-7;1-2-9-7-5-3-4-6-8-7;7-5-6-3-1-2-4-8-6;1-8-6-4-2-3-5-7-6;6-5-3-1-2-4-7-5;1-2-4-6-5-3-1/h2-5H,6-11H2,1H3;1-4H,5-10H2;1-2,5-6H,3-4,7-10H2;2-5H,6-9H2,1H3;2-3,6-7H,1,4-5,8-9H2;1-4H,5-8H2;3-6H,7-8H2,1-2H3;1-2,5-6H,3-4,7-8H2;2-5H,6-7H2,1H3;3-7H,1-2H3;1-4H,5H2;1-4H,5H2,(H,9,10);1-4,9H,5-6H2;3-6H,2H2,1H3;1-4H;2-5H,1H3;1-4H;1-5H.
What are the key properties of 2-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-ethoxypyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-(2-pyridin-2-yloxyethyl)piperazine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyacetic acid;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-(2-pyrrolidin-1-ylethoxy)pyridine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine?
2-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-ethoxypyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-(2-pyridin-2-yloxyethyl)piperazine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyacetic acid;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-(2-pyrrolidin-1-ylethoxy)pyridine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 2728.78 g/mol, XLogP of 21.92, 37 rotatable bonds, 2 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-ethoxypyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-(2-pyridin-2-yloxyethyl)piperazine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyacetic acid;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-(2-pyrrolidin-1-ylethoxy)pyridine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 159074671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).