3-(3-chloro-5-methyl-4-pyridinyl)-2-methylpropanoic acid

C10H12ClNO2 — CID 84679936

IUPAC3-(3-chloro-5-methyl-4-pyridinyl)-2-methylpropanoic acid
SMILESCc1cncc(Cl)c1CC(C)C(=O)O
InChIInChI=1S/C10H12ClNO2/c1-6(10(13)14)3-8-7(2)4-12-5-9(8)11/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyUFMPZTHNRLLEPZ-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.31
Rot. Bonds3

About 3-(3-chloro-5-methyl-4-pyridinyl)-2-methylpropanoic acid

3-(3-chloro-5-methyl-4-pyridinyl)-2-methylpropanoic acid (PubChem CID 84679936) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 3-(3-chloro-5-methyl-4-pyridinyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-chloro-5-methyl-4-pyridinyl)-2-methylpropanoic acid
PubChem CID84679936
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name3-(3-chloro-5-methyl-4-pyridinyl)-2-methylpropanoic acid
SMILESCc1cncc(Cl)c1CC(C)C(=O)O
InChIInChI=1S/C10H12ClNO2/c1-6(10(13)14)3-8-7(2)4-12-5-9(8)11/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyUFMPZTHNRLLEPZ-UHFFFAOYSA-N
XLogP2.31
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid
CID 115008773
3-(4-chloro-2-hydroxy-3-methoxy-6-methylphenyl)-2-methylpropanoic acid
CID 117400516
3-(3-chloro-5-fluoro-2,6-dimethylphenyl)-2-methylpropanoic acid
CID 84802694
3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid
CID 83703696
3-(3-chloro-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
CID 117425398
3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 117395369
3-(3-chloro-2,5,6-trifluorophenyl)-2-methylpropanoic acid
CID 117384557
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid
CID 83832130
3-(4-bromo-2-hydroxy-3,6-dimethylphenyl)-2-methylpropanoic acid
CID 117463133
(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-methylpropanoic acid
CID 25418834
3-(3-chloro-4-hydroxy-2,5,6-trimethylphenyl)-2-methylpropanoic acid
CID 115112855

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-methyl-4-pyridinyl)-2-methylpropanoic acid?
The IUPAC name of 3-(3-chloro-5-methyl-4-pyridinyl)-2-methylpropanoic acid (CID 84679936) is 3-(3-chloro-5-methyl-4-pyridinyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-chloro-5-methyl-4-pyridinyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3-chloro-5-methyl-4-pyridinyl)-2-methylpropanoic acid is Cc1cncc(Cl)c1CC(C)C(=O)O.
What is the InChIKey of 3-(3-chloro-5-methyl-4-pyridinyl)-2-methylpropanoic acid?
The InChIKey is UFMPZTHNRLLEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-6(10(13)14)3-8-7(2)4-12-5-9(8)11/h4-6H,3H2,1-2H3,(H,13,14).
What are the key properties of 3-(3-chloro-5-methyl-4-pyridinyl)-2-methylpropanoic acid?
3-(3-chloro-5-methyl-4-pyridinyl)-2-methylpropanoic acid has a molecular weight of 213.66 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-methyl-4-pyridinyl)-2-methylpropanoic acid is sourced from PubChem (CID 84679936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).