2-chloro-6-piperidin-1-ylpyridine-4-carboxylic acid

C11H13ClN2O2 — CID 21430347

IUPAC2-chloro-6-piperidin-1-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(N2CCCCC2)c1
InChIInChI=1S/C11H13ClN2O2/c12-9-6-8(11(15)16)7-10(13-9)14-4-2-1-3-5-14/h6-7H,1-5H2,(H,15,16)
InChIKeyXYTCYDFRDSCUMY-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.42
Rot. Bonds2

About 2-chloro-6-piperidin-1-ylpyridine-4-carboxylic acid

2-chloro-6-piperidin-1-ylpyridine-4-carboxylic acid (PubChem CID 21430347) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-chloro-6-piperidin-1-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-piperidin-1-ylpyridine-4-carboxylic acid
PubChem CID21430347
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name2-chloro-6-piperidin-1-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(N2CCCCC2)c1
InChIInChI=1S/C11H13ClN2O2/c12-9-6-8(11(15)16)7-10(13-9)14-4-2-1-3-5-14/h6-7H,1-5H2,(H,15,16)
InChIKeyXYTCYDFRDSCUMY-UHFFFAOYSA-N
XLogP2.42
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Morpholin-4-yl)isonicotinic acid
CID 2762479
5-Chloro-2-(cyclopropylamino)pyridine-4-carboxylic acid
CID 114919009
2-Amino-6-chloropyridine-4-carboxylic acid
CID 236986
2-Chloro-6-(dimethylamino)isonicotinic acid
CID 21430354
2-Dimethylamino-isonicotinic acid
CID 6484234
2-(4-Methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
2-(3-Methylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 6496940
2-(Dimethylamino)pyridine-4-carboxylic acid hydrochloride
CID 54592810
7-Chloro-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 70684137
2-Pyrrolidin-1-yl-isonicotinic acid
CID 6484236
Methyl 2-(benzylamino)-6-chloroisonicotinate
CID 87562356
2-Chloro-6-(diethylamino)pyridine-4-carboxylic acid
CID 236989

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-piperidin-1-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-piperidin-1-ylpyridine-4-carboxylic acid (CID 21430347) is 2-chloro-6-piperidin-1-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-piperidin-1-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-piperidin-1-ylpyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(N2CCCCC2)c1.
What is the InChIKey of 2-chloro-6-piperidin-1-ylpyridine-4-carboxylic acid?
The InChIKey is XYTCYDFRDSCUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-9-6-8(11(15)16)7-10(13-9)14-4-2-1-3-5-14/h6-7H,1-5H2,(H,15,16).
What are the key properties of 2-chloro-6-piperidin-1-ylpyridine-4-carboxylic acid?
2-chloro-6-piperidin-1-ylpyridine-4-carboxylic acid has a molecular weight of 240.69 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-piperidin-1-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 21430347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).