2-chloropyridine;4-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;4-methylpyrimidine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyrazine;bis(pyridine);pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;4-pyridin-4-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine;4-(trifluoromethyl)pyridine

C150H182Cl2F6N32O13 — CID 159349348

IUPAC2-chloropyridine;4-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;4-methylpyrimidine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyrazine;bis(pyridine);pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;4-pyridin-4-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine;4-(trifluoromethyl)pyridine
SMILESCC(C)Oc1ccccn1.CN(C)CCOc1ccccn1.CN1CCN(c2ccccn2)CC1.COCCOc1ccccn1.COc1ccccn1.COc1ccncc1.Cc1ccncn1.Clc1ccccn1.Clc1ccncc1.FC(F)(F)COc1ccccn1.FC(F)(F)c1ccncc1.N#Cc1ccccn1.OCCOc1ccccn1.c1cc(N2CCOCC2)ccn1.c1ccc(N2CCCC2)nc1.c1ccc(N2CCCCC2)nc1.c1ccc(N2CCOCC2)nc1.c1ccc(OCCN2CCOCC2)nc1.c1ccncc1.c1ccncc1.c1cnccn1
InChIInChI=1S/C11H16N2O2.C10H15N3.C10H14N2.2C9H12N2O.C9H14N2O.C9H12N2.C8H11NO2.C8H11NO.C7H6F3NO.C7H9NO2.C6H4F3N.C6H4N2.2C6H7NO.2C5H4ClN.C5H6N2.2C5H5N.C4H4N2/c1-2-4-12-11(3-1)15-10-7-13-5-8-14-9-6-13;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;1-3-10-4-2-9(1)11-5-7-12-8-6-11;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;9-5-6-10-7-3-1-2-4-8-7;7-6(8,9)5-1-3-10-4-2-5;7-5-6-3-1-2-4-8-6;1-8-6-2-4-7-5-3-6;1-8-6-4-2-3-5-7-6;6-5-1-3-7-4-2-5;6-5-3-1-2-4-7-5;1-5-2-3-6-4-7-5;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1/h1-4H,5-10H2;2-5H,6-9H2,1H3;2-3,6-7H,1,4-5,8-9H2;2*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;1-4,9H,5-6H2;1-4H;1-4H;2*2-5H,1H3;2*1-4H;2-4H,1H3;2*1-5H;1-4H
InChIKeyMJQVPZQWUAKHFE-UHFFFAOYSA-N
MW2826.21 g/mol
LogP25.82
Rot. Bonds26

About 2-chloropyridine;4-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;4-methylpyrimidine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyrazine;bis(pyridine);pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;4-pyridin-4-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine;4-(trifluoromethyl)pyridine

2-chloropyridine;4-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;4-methylpyrimidine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyrazine;bis(pyridine);pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;4-pyridin-4-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine;4-(trifluoromethyl)pyridine (PubChem CID 159349348) has the molecular formula C150H182Cl2F6N32O13 and a molecular weight of 2826.21 g/mol. Its IUPAC name is 2-chloropyridine;4-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;4-methylpyrimidine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyrazine;bis(pyridine);pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;4-pyridin-4-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine;4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloropyridine;4-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;4-methylpyrimidine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyrazine;bis(pyridine);pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;4-pyridin-4-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine;4-(trifluoromethyl)pyridine
PubChem CID159349348
Molecular FormulaC150H182Cl2F6N32O13
Molecular Weight2826.21 g/mol
Exact Mass2823.38
IUPAC Name2-chloropyridine;4-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;4-methylpyrimidine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyrazine;bis(pyridine);pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;4-pyridin-4-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine;4-(trifluoromethyl)pyridine
SMILESCC(C)Oc1ccccn1.CN(C)CCOc1ccccn1.CN1CCN(c2ccccn2)CC1.COCCOc1ccccn1.COc1ccccn1.COc1ccncc1.Cc1ccncn1.Clc1ccccn1.Clc1ccncc1.FC(F)(F)COc1ccccn1.FC(F)(F)c1ccncc1.N#Cc1ccccn1.OCCOc1ccccn1.c1cc(N2CCOCC2)ccn1.c1ccc(N2CCCC2)nc1.c1ccc(N2CCCCC2)nc1.c1ccc(N2CCOCC2)nc1.c1ccc(OCCN2CCOCC2)nc1.c1ccncc1.c1ccncc1.c1cnccn1
InChIInChI=1S/C11H16N2O2.C10H15N3.C10H14N2.2C9H12N2O.C9H14N2O.C9H12N2.C8H11NO2.C8H11NO.C7H6F3NO.C7H9NO2.C6H4F3N.C6H4N2.2C6H7NO.2C5H4ClN.C5H6N2.2C5H5N.C4H4N2/c1-2-4-12-11(3-1)15-10-7-13-5-8-14-9-6-13;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;1-3-10-4-2-9(1)11-5-7-12-8-6-11;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;9-5-6-10-7-3-1-2-4-8-7;7-6(8,9)5-1-3-10-4-2-5;7-5-6-3-1-2-4-8-6;1-8-6-2-4-7-5-3-6;1-8-6-4-2-3-5-7-6;6-5-1-3-7-4-2-5;6-5-3-1-2-4-7-5;1-5-2-3-6-4-7-5;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1/h1-4H,5-10H2;2-5H,6-9H2,1H3;2-3,6-7H,1,4-5,8-9H2;2*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;1-4,9H,5-6H2;1-4H;1-4H;2*2-5H,1H3;2*1-4H;2-4H,1H3;2*1-5H;1-4H
InChIKeyMJQVPZQWUAKHFE-UHFFFAOYSA-N
XLogP25.82
TPSA477.17 Ų
H-Bond Donors1
H-Bond Acceptors45
Rotatable Bonds26
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002826.21
LogP ≤ 525.82
H-Bond Donors ≤ 51
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;4-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;4-methylpyrimidine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyrazine;bis(pyridine);pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;4-pyridin-4-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine;4-(trifluoromethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloropyridine;4-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;4-methylpyrimidine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyrazine;bis(pyridine);pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;4-pyridin-4-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine;4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloropyridine;4-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;4-methylpyrimidine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyrazine;bis(pyridine);pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;4-pyridin-4-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine;4-(trifluoromethyl)pyridine (CID 159349348) is 2-chloropyridine;4-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;4-methylpyrimidine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyrazine;bis(pyridine);pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;4-pyridin-4-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine;4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloropyridine;4-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;4-methylpyrimidine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyrazine;bis(pyridine);pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;4-pyridin-4-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine;4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloropyridine;4-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;4-methylpyrimidine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyrazine;bis(pyridine);pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;4-pyridin-4-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine;4-(trifluoromethyl)pyridine is CC(C)Oc1ccccn1.CN(C)CCOc1ccccn1.CN1CCN(c2ccccn2)CC1.COCCOc1ccccn1.COc1ccccn1.COc1ccncc1.Cc1ccncn1.Clc1ccccn1.Clc1ccncc1.FC(F)(F)COc1ccccn1.FC(F)(F)c1ccncc1.N#Cc1ccccn1.OCCOc1ccccn1.c1cc(N2CCOCC2)ccn1.c1ccc(N2CCCC2)nc1.c1ccc(N2CCCCC2)nc1.c1ccc(N2CCOCC2)nc1.c1ccc(OCCN2CCOCC2)nc1.c1ccncc1.c1ccncc1.c1cnccn1.
What is the InChIKey of 2-chloropyridine;4-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;4-methylpyrimidine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyrazine;bis(pyridine);pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;4-pyridin-4-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine;4-(trifluoromethyl)pyridine?
The InChIKey is MJQVPZQWUAKHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.C10H15N3.C10H14N2.2C9H12N2O.C9H14N2O.C9H12N2.C8H11NO2.C8H11NO.C7H6F3NO.C7H9NO2.C6H4F3N.C6H4N2.2C6H7NO.2C5H4ClN.C5H6N2.2C5H5N.C4H4N2/c1-2-4-12-11(3-1)15-10-7-13-5-8-14-9-6-13;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;1-3-10-4-2-9(1)11-5-7-12-8-6-11;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;9-5-6-10-7-3-1-2-4-8-7;7-6(8,9)5-1-3-10-4-2-5;7-5-6-3-1-2-4-8-6;1-8-6-2-4-7-5-3-6;1-8-6-4-2-3-5-7-6;6-5-1-3-7-4-2-5;6-5-3-1-2-4-7-5;1-5-2-3-6-4-7-5;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1/h1-4H,5-10H2;2-5H,6-9H2,1H3;2-3,6-7H,1,4-5,8-9H2;2*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;1-4,9H,5-6H2;1-4H;1-4H;2*2-5H,1H3;2*1-4H;2-4H,1H3;2*1-5H;1-4H.
What are the key properties of 2-chloropyridine;4-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;4-methylpyrimidine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyrazine;bis(pyridine);pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;4-pyridin-4-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine;4-(trifluoromethyl)pyridine?
2-chloropyridine;4-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;4-methylpyrimidine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyrazine;bis(pyridine);pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;4-pyridin-4-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine;4-(trifluoromethyl)pyridine has a molecular weight of 2826.21 g/mol, XLogP of 25.82, 26 rotatable bonds, 1 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyridine;4-chloropyridine;N,N-dimethyl-2-pyridin-2-yloxyethanamine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;4-methylpyrimidine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyrazine;bis(pyridine);pyridine-2-carbonitrile;4-pyridin-2-ylmorpholine;4-pyridin-4-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine;4-(trifluoromethyl)pyridine is sourced from PubChem (CID 159349348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).