4-chloro-6-(2,2-dimethylpropyl)pyridine-2-carboxylic acid

C11H14ClNO2 — CID 96602240

IUPAC4-chloro-6-(2,2-dimethylpropyl)pyridine-2-carboxylic acid
SMILESCC(C)(C)Cc1cc(Cl)cc(C(=O)O)n1
InChIInChI=1S/C11H14ClNO2/c1-11(2,3)6-8-4-7(12)5-9(13-8)10(14)15/h4-5H,6H2,1-3H3,(H,14,15)
InChIKeyGZLPADHYSNDBQK-UHFFFAOYSA-N
MW227.69 g/mol
LogP3.02
Rot. Bonds2

About 4-chloro-6-(2,2-dimethylpropyl)pyridine-2-carboxylic acid

4-chloro-6-(2,2-dimethylpropyl)pyridine-2-carboxylic acid (PubChem CID 96602240) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-6-(2,2-dimethylpropyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-(2,2-dimethylpropyl)pyridine-2-carboxylic acid
PubChem CID96602240
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name4-chloro-6-(2,2-dimethylpropyl)pyridine-2-carboxylic acid
SMILESCC(C)(C)Cc1cc(Cl)cc(C(=O)O)n1
InChIInChI=1S/C11H14ClNO2/c1-11(2,3)6-8-4-7(12)5-9(13-8)10(14)15/h4-5H,6H2,1-3H3,(H,14,15)
InChIKeyGZLPADHYSNDBQK-UHFFFAOYSA-N
XLogP3.02
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-(2-cyanopropan-2-yl)pyridine-2-carboxylic acid
CID 146289551
(4-chloro-6-ethoxycarbonyl-2-pyridinyl)methylcarbamic acid
CID 175211532
2-[1-(3-chlorophenyl)-2-methylpropan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 82155371
4-chloro-6-(2-methylphenyl)pyridine-2-carboxylic acid
CID 12784962
4-chloro-6-[2-[4-chloro-6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
CID 59399350
5-bromo-1-(3-chlorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxylic acid
CID 141291650
2,5-dichloro-3-(3-hydroxy-3-methylbutyl)sulfonylbenzoic acid
CID 79356123
6-(5,5-dimethylhexyl)pyrazine-2-carboxylic acid
CID 59842127
4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trichloropyridine-2-carboxylic acid
CID 157467811
2,6-diethylpyrimidine-4-carboxylic acid
CID 83816909
(6-tert-butyl-4-chloro-2-pyridinyl)methyl acetate
CID 137354820
2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271525

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,2-dimethylpropyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-chloro-6-(2,2-dimethylpropyl)pyridine-2-carboxylic acid (CID 96602240) is 4-chloro-6-(2,2-dimethylpropyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-chloro-6-(2,2-dimethylpropyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-chloro-6-(2,2-dimethylpropyl)pyridine-2-carboxylic acid is CC(C)(C)Cc1cc(Cl)cc(C(=O)O)n1.
What is the InChIKey of 4-chloro-6-(2,2-dimethylpropyl)pyridine-2-carboxylic acid?
The InChIKey is GZLPADHYSNDBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-11(2,3)6-8-4-7(12)5-9(13-8)10(14)15/h4-5H,6H2,1-3H3,(H,14,15).
What are the key properties of 4-chloro-6-(2,2-dimethylpropyl)pyridine-2-carboxylic acid?
4-chloro-6-(2,2-dimethylpropyl)pyridine-2-carboxylic acid has a molecular weight of 227.69 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,2-dimethylpropyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 96602240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).