5-butylpyridine-2-carboxylic acid

C10H13NO2 — CID 3442

IUPAC5-butylpyridine-2-carboxylic acid
SMILESCCCCc1ccc(C(=O)O)nc1
InChIInChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)
InChIKeyDGMPVYSXXIOGJY-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.12
Rot. Bonds4

About 5-butylpyridine-2-carboxylic acid

5-butylpyridine-2-carboxylic acid (PubChem CID 3442) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-butylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-butylpyridine-2-carboxylic acid
PubChem CID3442
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name5-butylpyridine-2-carboxylic acid
SMILESCCCCc1ccc(C(=O)O)nc1
InChIInChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)
InChIKeyDGMPVYSXXIOGJY-UHFFFAOYSA-N
XLogP2.12
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Quinolinic Acid
CID 1066
Picolinic acid
CID 1018
2,6-Pyridinedicarboxylic acid
CID 10367
2,5-Pyridinedicarboxylic acid
CID 7493
2,4-Pyridinedicarboxylic acid
CID 10365
Isoquinoline-3-carboxylic acid
CID 124656
6-Methylpyridine-2-carboxylic acid
CID 70282
5-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 314992
5-Ethylquinolinic acid
CID 113606
Phenopicolinic acid
CID 3043792
2-(Pyridin-3-yl)benzoic acid
CID 2760505
3-(Pyridin-3-yl)benzoic acid
CID 2795575

Frequently Asked Questions

What is the IUPAC name of 5-butylpyridine-2-carboxylic acid?
The IUPAC name of 5-butylpyridine-2-carboxylic acid (CID 3442) is 5-butylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-butylpyridine-2-carboxylic acid?
The canonical SMILES for 5-butylpyridine-2-carboxylic acid is CCCCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-butylpyridine-2-carboxylic acid?
The InChIKey is DGMPVYSXXIOGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13).
What are the key properties of 5-butylpyridine-2-carboxylic acid?
5-butylpyridine-2-carboxylic acid has a molecular weight of 179.22 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylpyridine-2-carboxylic acid is sourced from PubChem (CID 3442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).