2-(3-chloro-2-methyl-4-pyridinyl)acetic acid

C8H8ClNO2 — CID 126972308

IUPAC2-(3-chloro-2-methyl-4-pyridinyl)acetic acid
SMILESCc1nccc(CC(=O)O)c1Cl
InChIInChI=1S/C8H8ClNO2/c1-5-8(9)6(2-3-10-5)4-7(11)12/h2-3H,4H2,1H3,(H,11,12)
InChIKeyJLFLOEYATRUKKK-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.67
Rot. Bonds2

About 2-(3-chloro-2-methyl-4-pyridinyl)acetic acid

2-(3-chloro-2-methyl-4-pyridinyl)acetic acid (PubChem CID 126972308) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 2-(3-chloro-2-methyl-4-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-2-methyl-4-pyridinyl)acetic acid
PubChem CID126972308
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name2-(3-chloro-2-methyl-4-pyridinyl)acetic acid
SMILESCc1nccc(CC(=O)O)c1Cl
InChIInChI=1S/C8H8ClNO2/c1-5-8(9)6(2-3-10-5)4-7(11)12/h2-3H,4H2,1H3,(H,11,12)
InChIKeyJLFLOEYATRUKKK-UHFFFAOYSA-N
XLogP1.67
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichloro-2-pyridinyl)acetic acid
CID 130838385
2-(2,3-dichloro-4-methylphenyl)acetic acid
CID 119014032
2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134637597
2-[3-chloro-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133088248
2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid
CID 130074453
3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride
CID 134129731
4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride
CID 155943900
2-[(3-chloro-2-methyl-4-pyridinyl)amino]-4-methylpentanoic acid
CID 122062515
2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 131611741
3-chloro-2-methylpyridin-4-amine
CID 13419573
2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid
CID 130970296
3-chloro-4-(chloromethyl)pyridine-2-carboxylic acid
CID 174890326

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methyl-4-pyridinyl)acetic acid?
The IUPAC name of 2-(3-chloro-2-methyl-4-pyridinyl)acetic acid (CID 126972308) is 2-(3-chloro-2-methyl-4-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-chloro-2-methyl-4-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-chloro-2-methyl-4-pyridinyl)acetic acid is Cc1nccc(CC(=O)O)c1Cl.
What is the InChIKey of 2-(3-chloro-2-methyl-4-pyridinyl)acetic acid?
The InChIKey is JLFLOEYATRUKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-5-8(9)6(2-3-10-5)4-7(11)12/h2-3H,4H2,1H3,(H,11,12).
What are the key properties of 2-(3-chloro-2-methyl-4-pyridinyl)acetic acid?
2-(3-chloro-2-methyl-4-pyridinyl)acetic acid has a molecular weight of 185.61 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methyl-4-pyridinyl)acetic acid is sourced from PubChem (CID 126972308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).