4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid

C10H12ClNO2 — CID 83886143

IUPAC4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid
SMILESCc1ccc(Cl)c(CCCC(=O)O)n1
InChIInChI=1S/C10H12ClNO2/c1-7-5-6-8(11)9(12-7)3-2-4-10(13)14/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyCJKLCFGQITXFKX-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.45
Rot. Bonds4

About 4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid

4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid (PubChem CID 83886143) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid.

Molecular Properties

Compound Name4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid
PubChem CID83886143
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid
SMILESCc1ccc(Cl)c(CCCC(=O)O)n1
InChIInChI=1S/C10H12ClNO2/c1-7-5-6-8(11)9(12-7)3-2-4-10(13)14/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyCJKLCFGQITXFKX-UHFFFAOYSA-N
XLogP2.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid?
The IUPAC name of 4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid (CID 83886143) is 4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid.
What is the SMILES notation for 4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid?
The canonical SMILES for 4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid is Cc1ccc(Cl)c(CCCC(=O)O)n1.
What is the InChIKey of 4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid?
The InChIKey is CJKLCFGQITXFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7-5-6-8(11)9(12-7)3-2-4-10(13)14/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid?
4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid has a molecular weight of 213.66 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid is sourced from PubChem (CID 83886143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).