2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid

C12H15ClN2O2 — CID 43166580

IUPAC2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
SMILESCC1CCCN(c2cc(C(=O)O)cc(Cl)n2)C1
InChIInChI=1S/C12H15ClN2O2/c1-8-3-2-4-15(7-8)11-6-9(12(16)17)5-10(13)14-11/h5-6,8H,2-4,7H2,1H3,(H,16,17)
InChIKeyMETFVLMJYNOSMO-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.67
Rot. Bonds2

About 2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid

2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid (PubChem CID 43166580) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
PubChem CID43166580
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid
SMILESCC1CCCN(c2cc(C(=O)O)cc(Cl)n2)C1
InChIInChI=1S/C12H15ClN2O2/c1-8-3-2-4-15(7-8)11-6-9(12(16)17)5-10(13)14-11/h5-6,8H,2-4,7H2,1H3,(H,16,17)
InChIKeyMETFVLMJYNOSMO-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 106587160
2-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 61404286
2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 106669843
2-chloro-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 60973947
4-chloro-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-2-amine
CID 31537614
4-chloro-2-cyclopropyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidine
CID 129380887
2-methyl-6-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 90718373
2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 63620736
2-chloro-6-(3-methylpiperidin-1-yl)pyrazine
CID 53409115
2-chloro-6-(1,4-oxazepan-4-yl)pyridine-4-carboxylic acid
CID 55139980
5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 126422492
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid (CID 43166580) is 2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid is CC1CCCN(c2cc(C(=O)O)cc(Cl)n2)C1.
What is the InChIKey of 2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid?
The InChIKey is METFVLMJYNOSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8-3-2-4-15(7-8)11-6-9(12(16)17)5-10(13)14-11/h5-6,8H,2-4,7H2,1H3,(H,16,17).
What are the key properties of 2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid?
2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid has a molecular weight of 254.72 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-methylpiperidin-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 43166580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).