3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid

C9H10ClNO2 — CID 115009281

IUPAC3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid
SMILESCC(Cc1cc(Cl)ccn1)C(=O)O
InChIInChI=1S/C9H10ClNO2/c1-6(9(12)13)4-8-5-7(10)2-3-11-8/h2-3,5-6H,4H2,1H3,(H,12,13)
InChIKeyMANQXWZIXYVHSJ-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.00
Rot. Bonds3

About 3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid

3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid (PubChem CID 115009281) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid
PubChem CID115009281
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid
SMILESCC(Cc1cc(Cl)ccn1)C(=O)O
InChIInChI=1S/C9H10ClNO2/c1-6(9(12)13)4-8-5-7(10)2-3-11-8/h2-3,5-6H,4H2,1H3,(H,12,13)
InChIKeyMANQXWZIXYVHSJ-UHFFFAOYSA-N
XLogP2.00
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid
CID 115009382
2-[(4-chloro-2-pyridinyl)methylsulfanyl]propanoic acid
CID 79255226
3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid
CID 83901573
3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid
CID 82244797
1-(4-chloro-2-pyridinyl)propan-2-one
CID 68541993
3-[2-(methoxymethyl)-4-pyridinyl]-2-methylpropanoic acid
CID 83884346
3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
CID 83402731
4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538436
3-furo[2,3-c]pyridin-5-yl-2-methylpropanoic acid
CID 84778209
3-(4-chloro-2-hydroxyphenyl)-2-methylpropanoic acid
CID 131365879
1-(4-chloro-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 144559566
(2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid
CID 95001565

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid?
The IUPAC name of 3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid (CID 115009281) is 3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid is CC(Cc1cc(Cl)ccn1)C(=O)O.
What is the InChIKey of 3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid?
The InChIKey is MANQXWZIXYVHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-6(9(12)13)4-8-5-7(10)2-3-11-8/h2-3,5-6H,4H2,1H3,(H,12,13).
What are the key properties of 3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid?
3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid has a molecular weight of 199.64 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid is sourced from PubChem (CID 115009281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).