2-chloro-6-pentylpyridine-4-carboxylic acid

C11H14ClNO2 — CID 165460314

IUPAC2-chloro-6-pentylpyridine-4-carboxylic acid
SMILESCCCCCc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C11H14ClNO2/c1-2-3-4-5-9-6-8(11(14)15)7-10(12)13-9/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyRXBHXISJFKTOKM-UHFFFAOYSA-N
MW227.69 g/mol
LogP3.17
Rot. Bonds5

About 2-chloro-6-pentylpyridine-4-carboxylic acid

2-chloro-6-pentylpyridine-4-carboxylic acid (PubChem CID 165460314) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-6-pentylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-pentylpyridine-4-carboxylic acid
PubChem CID165460314
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-chloro-6-pentylpyridine-4-carboxylic acid
SMILESCCCCCc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C11H14ClNO2/c1-2-3-4-5-9-6-8(11(14)15)7-10(12)13-9/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyRXBHXISJFKTOKM-UHFFFAOYSA-N
XLogP3.17
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-butyl-6-chloropyridine-4-carboxylate
CID 174747407
N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
CID 113379664
2,6-dichloropyridine-4-carboxylic acid;iron
CID 174504494
2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide
CID 113379658
3,5-dihexylbenzoic acid
CID 141246135
2-chloro-6-propoxypyridine-4-carboxylic acid
CID 43247945
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
(2-chloro-6-propyl-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668684
2-chloro-6-pentylpyridine
CID 14570984
methanol;3,4,5-trihexylbenzoic acid
CID 18509998
(2-chloro-6-propyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 113379665
2-chloro-N-[(1R)-1-phenylethyl]-6-propylpyridine-4-carboxamide
CID 107864079

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-pentylpyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-pentylpyridine-4-carboxylic acid (CID 165460314) is 2-chloro-6-pentylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-pentylpyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-pentylpyridine-4-carboxylic acid is CCCCCc1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-pentylpyridine-4-carboxylic acid?
The InChIKey is RXBHXISJFKTOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-2-3-4-5-9-6-8(11(14)15)7-10(12)13-9/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-chloro-6-pentylpyridine-4-carboxylic acid?
2-chloro-6-pentylpyridine-4-carboxylic acid has a molecular weight of 227.69 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-pentylpyridine-4-carboxylic acid is sourced from PubChem (CID 165460314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).