4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid

C10H12ClNO3 — CID 83893919

IUPAC4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid
SMILESCOc1ncc(CCCC(=O)O)cc1Cl
InChIInChI=1S/C10H12ClNO3/c1-15-10-8(11)5-7(6-12-10)3-2-4-9(13)14/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyLLLPNKISZVVYGC-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.15
Rot. Bonds5

About 4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid

4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid (PubChem CID 83893919) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid.

Molecular Properties

Compound Name4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid
PubChem CID83893919
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid
SMILESCOc1ncc(CCCC(=O)O)cc1Cl
InChIInChI=1S/C10H12ClNO3/c1-15-10-8(11)5-7(6-12-10)3-2-4-9(13)14/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyLLLPNKISZVVYGC-UHFFFAOYSA-N
XLogP2.15
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid
CID 167442924
3-[(5-chloro-6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 122016249
4-(3-chloro-4-fluoro-5-methoxyphenyl)butanoic acid
CID 117369145
4-(4-chloro-3-methoxyphenyl)butanoic acid
CID 83710715
4-(3-chloro-5-methoxy-4-propan-2-ylphenyl)butanoic acid
CID 117430020
4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid
CID 70628772
4-(2,4-dimethoxypyrimidin-5-yl)butanoic acid
CID 105483714
6-(3,4-dichlorophenyl)hexanoic acid
CID 43446941
4-(5-chloro-2-ethyl-4-methoxyphenyl)butanoic acid
CID 117395261
4-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]butanoic acid
CID 117406092
4-(3-chloro-4-pentan-3-ylphenyl)butanoic acid
CID 117425620
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid?
The IUPAC name of 4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid (CID 83893919) is 4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid.
What is the SMILES notation for 4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid?
The canonical SMILES for 4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid is COc1ncc(CCCC(=O)O)cc1Cl.
What is the InChIKey of 4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid?
The InChIKey is LLLPNKISZVVYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-15-10-8(11)5-7(6-12-10)3-2-4-9(13)14/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid?
4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid has a molecular weight of 229.66 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid is sourced from PubChem (CID 83893919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).