6-chloro-3-propan-2-ylpyridine-2-carboxylic acid

C9H10ClNO2 — CID 84721154

IUPAC6-chloro-3-propan-2-ylpyridine-2-carboxylic acid
SMILESCC(C)c1ccc(Cl)nc1C(=O)O
InChIInChI=1S/C9H10ClNO2/c1-5(2)6-3-4-7(10)11-8(6)9(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyLSTAYLIDBOTFDO-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.56
Rot. Bonds2

About 6-chloro-3-propan-2-ylpyridine-2-carboxylic acid

6-chloro-3-propan-2-ylpyridine-2-carboxylic acid (PubChem CID 84721154) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 6-chloro-3-propan-2-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-propan-2-ylpyridine-2-carboxylic acid
PubChem CID84721154
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name6-chloro-3-propan-2-ylpyridine-2-carboxylic acid
SMILESCC(C)c1ccc(Cl)nc1C(=O)O
InChIInChI=1S/C9H10ClNO2/c1-5(2)6-3-4-7(10)11-8(6)9(12)13/h3-5H,1-2H3,(H,12,13)
InChIKeyLSTAYLIDBOTFDO-UHFFFAOYSA-N
XLogP2.56
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloropyridine-2-carboxylic acid;propan-2-amine
CID 174671655
6-chloro-N-methoxy-3-propan-2-ylpyridine-2-carboxamide
CID 169269963
3-(3-amino-1,2-dihydroxypropyl)-6-chloropyridine-2-carboxylic acid
CID 170828444
6-chloro-3-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-2-carboxylic acid
CID 171866522
3-(4-acetamido-1,2-dihydroxybutyl)-6-chloropyridine-2-carboxylic acid
CID 171883472
6-chloro-3-(3-cyano-1,2-dihydroxypropyl)pyridine-2-carboxylic acid
CID 171901389
6-chloro-3-propylpyridine-2-carboxylic acid
CID 84721152
3,6-dichloropyridine-2-carboxylic acid;pyridine
CID 137368232
3,6-dichloro-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 26290782
5-chloro-2-(4-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
CID 106511897
6-chloro-2-methoxy-3-propan-2-ylpyridine
CID 130325202
6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid
CID 118695072

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-propan-2-ylpyridine-2-carboxylic acid?
The IUPAC name of 6-chloro-3-propan-2-ylpyridine-2-carboxylic acid (CID 84721154) is 6-chloro-3-propan-2-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-3-propan-2-ylpyridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-3-propan-2-ylpyridine-2-carboxylic acid is CC(C)c1ccc(Cl)nc1C(=O)O.
What is the InChIKey of 6-chloro-3-propan-2-ylpyridine-2-carboxylic acid?
The InChIKey is LSTAYLIDBOTFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-5(2)6-3-4-7(10)11-8(6)9(12)13/h3-5H,1-2H3,(H,12,13).
What are the key properties of 6-chloro-3-propan-2-ylpyridine-2-carboxylic acid?
6-chloro-3-propan-2-ylpyridine-2-carboxylic acid has a molecular weight of 199.64 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-propan-2-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 84721154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).