2-(5-chloro-6-methyl-2-pyridinyl)propanoic acid

C9H10ClNO2 — CID 83880579

IUPAC2-(5-chloro-6-methyl-2-pyridinyl)propanoic acid
SMILESCc1nc(C(C)C(=O)O)ccc1Cl
InChIInChI=1S/C9H10ClNO2/c1-5(9(12)13)8-4-3-7(10)6(2)11-8/h3-5H,1-2H3,(H,12,13)
InChIKeyRNIHPLNRLBTGQD-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.23
Rot. Bonds2

About 2-(5-chloro-6-methyl-2-pyridinyl)propanoic acid

2-(5-chloro-6-methyl-2-pyridinyl)propanoic acid (PubChem CID 83880579) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-(5-chloro-6-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(5-chloro-6-methyl-2-pyridinyl)propanoic acid
PubChem CID83880579
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2-(5-chloro-6-methyl-2-pyridinyl)propanoic acid
SMILESCc1nc(C(C)C(=O)O)ccc1Cl
InChIInChI=1S/C9H10ClNO2/c1-5(9(12)13)8-4-3-7(10)6(2)11-8/h3-5H,1-2H3,(H,12,13)
InChIKeyRNIHPLNRLBTGQD-UHFFFAOYSA-N
XLogP2.23
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-chloro-5-methoxyquinolin-2-yl)propanoic acid
CID 84640034
2-(6-amino-2-pyridinyl)propanoic acid
CID 70192155
2,4-bis(6-chloro-5-methyl-2-pyridinyl)pentan-3-one
CID 150348366
2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid
CID 83857547
2-phenylpropanoic acid;hydrate
CID 139796091
2-phenylpropanoic acid;dihydrochloride
CID 162109025
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-(2-chloro-6-hydroxyphenyl)propanoic acid
CID 84733802
2-[(3,5-dichloro-6-methyl-2-pyridinyl)oxy]propanoic acid
CID 22769944
2-(6-methoxy-2-methylpyrimidin-4-yl)propanoic acid
CID 126973200
2-(6-chloro-2,3-dihydroxyphenyl)propanoic acid
CID 117308570
2-(4,5,8-trimethylquinolin-2-yl)propanoic acid
CID 84630832

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of 2-(5-chloro-6-methyl-2-pyridinyl)propanoic acid (CID 83880579) is 2-(5-chloro-6-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(5-chloro-6-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 2-(5-chloro-6-methyl-2-pyridinyl)propanoic acid is Cc1nc(C(C)C(=O)O)ccc1Cl.
What is the InChIKey of 2-(5-chloro-6-methyl-2-pyridinyl)propanoic acid?
The InChIKey is RNIHPLNRLBTGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-5(9(12)13)8-4-3-7(10)6(2)11-8/h3-5H,1-2H3,(H,12,13).
What are the key properties of 2-(5-chloro-6-methyl-2-pyridinyl)propanoic acid?
2-(5-chloro-6-methyl-2-pyridinyl)propanoic acid has a molecular weight of 199.64 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 83880579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).