5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid

C12H15ClN2O2 — CID 43187330

IUPAC5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCC1CCCCN1c1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-8-4-2-3-5-15(8)11-10(13)6-9(7-14-11)12(16)17/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeySBLJQHOQBVZYDL-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.81
Rot. Bonds2

About 5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid

5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 43187330) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID43187330
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESCC1CCCCN1c1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-8-4-2-3-5-15(8)11-10(13)6-9(7-14-11)12(16)17/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeySBLJQHOQBVZYDL-UHFFFAOYSA-N
XLogP2.81
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-6-(2-ethylazepan-1-yl)pyridine-3-carboxylic acid
CID 104690120
6-(2-methylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81437895
5-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 55216040
5-chloro-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 138041096
3-amino-5-chloro-4-[(2R)-2-methylpiperidin-1-yl]benzoic acid
CID 95362363
5-amino-6-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 81439379
[5-chloro-6-(2-ethylpiperidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 133381373
5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 133357797
5-chloro-6-(4-propylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 55049889
6-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-5-chloropyridine-3-carboxylic acid
CID 133116219
5-chloro-6-[4-(2-methoxyethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 162444949
2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 60973947

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 43187330) is 5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid is CC1CCCCN1c1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is SBLJQHOQBVZYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8-4-2-3-5-15(8)11-10(13)6-9(7-14-11)12(16)17/h6-8H,2-5H2,1H3,(H,16,17).
What are the key properties of 5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid?
5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 254.72 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 43187330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).