2-chloropyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine — IUPAC name, SMILES, InChIKey & properties

Name: 2-chloropyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2-chloropyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine

2-chloropyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 158858146) has the molecular formula C95H122ClF3N18O10 and a molecular weight of 1768.58 g/mol. Its IUPAC name is 2-chloropyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name	2-chloropyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine
PubChem CID	158858146
Molecular Formula	C95H122ClF3N18O10
Molecular Weight	1768.58 g/mol
Exact Mass	1766.92
IUPAC Name	2-chloropyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine
SMILES	CC(C)Oc1ccccn1.CN1CCN(c2ccccn2)CC1.COCCOc1ccccn1.COc1ccccn1.Clc1ccccn1.FC(F)(F)COc1ccccn1.OCCOc1ccccn1.c1ccc(N2CCCC2)nc1.c1ccc(N2CCCCC2)nc1.c1ccc(N2CCOCC2)nc1.c1ccc(OCCN2CCOCC2)nc1.c1ccncc1
InChI	InChI=1S/C11H16N2O2.C10H15N3.C10H14N2.C9H12N2O.C9H12N2.C8H11NO2.C8H11NO.C7H6F3NO.C7H9NO2.C6H7NO.C5H4ClN.C5H5N/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;1-2-4-10-9(3-1)11-5-7-12-8-6-11;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;1-8-6-4-2-3-5-7-6;6-5-3-1-2-4-7-5;1-2-4-6-5-3-1/h1-4H,5-10H2;2-5H,6-9H2,1H3;2-3,6-7H,1,4-5,8-9H2;1-4H,5-8H2;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;2-5H,1H3;1-4H;1-5H
InChIKey	JAHYZTHIBMSLQV-UHFFFAOYSA-N
XLogP	15.66
TPSA	277.42 Å²
H-Bond Donors	1
H-Bond Acceptors	28
Rotatable Bonds	20
Heavy Atoms	127
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1768.58
LogP ≤ 5	15.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Analyze 2-chloropyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;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;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine?

The IUPAC name of 2-chloropyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine (CID 158858146) is 2-chloropyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine.

What is the SMILES notation for 2-chloropyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine?

The canonical SMILES for 2-chloropyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine is CC(C)Oc1ccccn1.CN1CCN(c2ccccn2)CC1.COCCOc1ccccn1.COc1ccccn1.Clc1ccccn1.FC(F)(F)COc1ccccn1.OCCOc1ccccn1.c1ccc(N2CCCC2)nc1.c1ccc(N2CCCCC2)nc1.c1ccc(N2CCOCC2)nc1.c1ccc(OCCN2CCOCC2)nc1.c1ccncc1.

What is the InChIKey of 2-chloropyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine?

The InChIKey is JAHYZTHIBMSLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.C10H15N3.C10H14N2.C9H12N2O.C9H12N2.C8H11NO2.C8H11NO.C7H6F3NO.C7H9NO2.C6H7NO.C5H4ClN.C5H5N/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;1-2-4-10-9(3-1)11-5-7-12-8-6-11;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;1-8-6-4-2-3-5-7-6;6-5-3-1-2-4-7-5;1-2-4-6-5-3-1/h1-4H,5-10H2;2-5H,6-9H2,1H3;2-3,6-7H,1,4-5,8-9H2;1-4H,5-8H2;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;2-5H,1H3;1-4H;1-5H.

What are the key properties of 2-chloropyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine?

Where does this data come from?

All data for 2-chloropyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;1-methyl-4-pyridin-2-ylpiperazine;2-piperidin-1-ylpyridine;2-propan-2-yloxypyridine;pyridine;4-pyridin-2-ylmorpholine;2-pyridin-2-yloxyethanol;4-(2-pyridin-2-yloxyethyl)morpholine;2-pyrrolidin-1-ylpyridine;2-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 158858146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).