2-(2-methylpropyl)pyridine-3-carboxylic acid

C10H13NO2 — CID 83914927

IUPAC2-(2-methylpropyl)pyridine-3-carboxylic acid
SMILESCC(C)Cc1ncccc1C(=O)O
InChIInChI=1S/C10H13NO2/c1-7(2)6-9-8(10(12)13)4-3-5-11-9/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyCPWGRUGLSDLDEE-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.98
Rot. Bonds3

About 2-(2-methylpropyl)pyridine-3-carboxylic acid

2-(2-methylpropyl)pyridine-3-carboxylic acid (PubChem CID 83914927) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(2-methylpropyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropyl)pyridine-3-carboxylic acid
PubChem CID83914927
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-(2-methylpropyl)pyridine-3-carboxylic acid
SMILESCC(C)Cc1ncccc1C(=O)O
InChIInChI=1S/C10H13NO2/c1-7(2)6-9-8(10(12)13)4-3-5-11-9/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyCPWGRUGLSDLDEE-UHFFFAOYSA-N
XLogP1.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-3-carboxy-2-methylpropyl]pyridine-3-carboxylic acid
CID 163000699
N,N-dimethyl-2-(2-methylpropyl)pyridine-3-carboxamide
CID 58286837
2-(3-carboxy-2,3-dihydroxybutyl)pyridine-3-carboxylic acid
CID 175980080
2-(aminooxymethyl)pyridine-3-carboxylic acid
CID 127018679
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid
CID 114198630
1-[2-[(2S)-2-hydroxypropyl]-3-pyridinyl]ethanone
CID 166906639
2-(2-acetyloxyethyl)pyridine-3-carboxylic acid
CID 166055626
2-[(1-thiophen-3-ylethylamino)methyl]pyridine-3-carboxylic acid
CID 114198700
2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid
CID 114198580
2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
CID 82187670
2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid
CID 95225327

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-methylpropyl)pyridine-3-carboxylic acid (CID 83914927) is 2-(2-methylpropyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-methylpropyl)pyridine-3-carboxylic acid is CC(C)Cc1ncccc1C(=O)O.
What is the InChIKey of 2-(2-methylpropyl)pyridine-3-carboxylic acid?
The InChIKey is CPWGRUGLSDLDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(2)6-9-8(10(12)13)4-3-5-11-9/h3-5,7H,6H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-methylpropyl)pyridine-3-carboxylic acid?
2-(2-methylpropyl)pyridine-3-carboxylic acid has a molecular weight of 179.22 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 83914927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).