6-[6-(2-chloro-5-methoxyphenyl)-3-hydroxy-2-pyridinyl]-4-oxohexanoic acid

C18H18ClNO5 — CID 175432112

IUPAC6-[6-(2-chloro-5-methoxyphenyl)-3-hydroxy-2-pyridinyl]-4-oxohexanoic acid
SMILESCOc1ccc(Cl)c(-c2ccc(O)c(CCC(=O)CCC(=O)O)n2)c1
InChIInChI=1S/C18H18ClNO5/c1-25-12-4-5-14(19)13(10-12)15-7-8-17(22)16(20-15)6-2-11(21)3-9-18(23)24/h4-5,7-8,10,22H,2-3,6,9H2,1H3,(H,23,24)
InChIKeyLNWPHHJWKZTELQ-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.48
Rot. Bonds8

About 6-[6-(2-chloro-5-methoxyphenyl)-3-hydroxy-2-pyridinyl]-4-oxohexanoic acid

6-[6-(2-chloro-5-methoxyphenyl)-3-hydroxy-2-pyridinyl]-4-oxohexanoic acid (PubChem CID 175432112) has the molecular formula C18H18ClNO5 and a molecular weight of 363.80 g/mol. Its IUPAC name is 6-[6-(2-chloro-5-methoxyphenyl)-3-hydroxy-2-pyridinyl]-4-oxohexanoic acid.

Molecular Properties

Compound Name6-[6-(2-chloro-5-methoxyphenyl)-3-hydroxy-2-pyridinyl]-4-oxohexanoic acid
PubChem CID175432112
Molecular FormulaC18H18ClNO5
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Name6-[6-(2-chloro-5-methoxyphenyl)-3-hydroxy-2-pyridinyl]-4-oxohexanoic acid
SMILESCOc1ccc(Cl)c(-c2ccc(O)c(CCC(=O)CCC(=O)O)n2)c1
InChIInChI=1S/C18H18ClNO5/c1-25-12-4-5-14(19)13(10-12)15-7-8-17(22)16(20-15)6-2-11(21)3-9-18(23)24/h4-5,7-8,10,22H,2-3,6,9H2,1H3,(H,23,24)
InChIKeyLNWPHHJWKZTELQ-UHFFFAOYSA-N
XLogP3.48
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid
CID 54758883
2-(2-chloro-5-methoxyphenyl)-6-methylpyridine;ethane
CID 144911954
2-[3-chloro-6-(2,5-dichlorophenyl)-2-pyridinyl]acetic acid
CID 133088320
2-(7-chloro-8-ethoxy-4-methylquinolin-2-yl)-4-methoxyphenol
CID 169419996
4-(2-chloro-5-methoxyphenyl)benzoic acid
CID 53218398
4-(2-chloro-5-methoxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877550
4-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-methylamino]-4-oxobutanoic acid
CID 861947
2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-4-methoxyphenol;manganese(3+);triacetate
CID 159382088
4-(4-chloro-6-methoxyphthalazin-1-yl)butanoic acid
CID 18381620
(2S)-2-amino-2-(2-chloro-5-methoxyphenyl)acetic acid
CID 66512330
2-[(2-chloro-5-methoxyphenyl)methyl]propanedioic acid
CID 67770104
1,5-bis(2-hydroxy-5-propan-2-yloxyphenyl)pentan-3-one
CID 154180149

Frequently Asked Questions

What is the IUPAC name of 6-[6-(2-chloro-5-methoxyphenyl)-3-hydroxy-2-pyridinyl]-4-oxohexanoic acid?
The IUPAC name of 6-[6-(2-chloro-5-methoxyphenyl)-3-hydroxy-2-pyridinyl]-4-oxohexanoic acid (CID 175432112) is 6-[6-(2-chloro-5-methoxyphenyl)-3-hydroxy-2-pyridinyl]-4-oxohexanoic acid.
What is the SMILES notation for 6-[6-(2-chloro-5-methoxyphenyl)-3-hydroxy-2-pyridinyl]-4-oxohexanoic acid?
The canonical SMILES for 6-[6-(2-chloro-5-methoxyphenyl)-3-hydroxy-2-pyridinyl]-4-oxohexanoic acid is COc1ccc(Cl)c(-c2ccc(O)c(CCC(=O)CCC(=O)O)n2)c1.
What is the InChIKey of 6-[6-(2-chloro-5-methoxyphenyl)-3-hydroxy-2-pyridinyl]-4-oxohexanoic acid?
The InChIKey is LNWPHHJWKZTELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5/c1-25-12-4-5-14(19)13(10-12)15-7-8-17(22)16(20-15)6-2-11(21)3-9-18(23)24/h4-5,7-8,10,22H,2-3,6,9H2,1H3,(H,23,24).
What are the key properties of 6-[6-(2-chloro-5-methoxyphenyl)-3-hydroxy-2-pyridinyl]-4-oxohexanoic acid?
6-[6-(2-chloro-5-methoxyphenyl)-3-hydroxy-2-pyridinyl]-4-oxohexanoic acid has a molecular weight of 363.80 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(2-chloro-5-methoxyphenyl)-3-hydroxy-2-pyridinyl]-4-oxohexanoic acid is sourced from PubChem (CID 175432112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).