1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione

C16H14ClNO3 — CID 148501489

IUPAC1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione
SMILESCC(=O)CCC(=O)c1ncc(-c2cccc(Cl)c2)cc1O
InChIInChI=1S/C16H14ClNO3/c1-10(19)5-6-14(20)16-15(21)8-12(9-18-16)11-3-2-4-13(17)7-11/h2-4,7-9,21H,5-6H2,1H3
InChIKeyMKSSCXOVYPDHAC-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.66
Rot. Bonds5

About 1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione

1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione (PubChem CID 148501489) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione.

Molecular Properties

Compound Name1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione
PubChem CID148501489
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione
SMILESCC(=O)CCC(=O)c1ncc(-c2cccc(Cl)c2)cc1O
InChIInChI=1S/C16H14ClNO3/c1-10(19)5-6-14(20)16-15(21)8-12(9-18-16)11-3-2-4-13(17)7-11/h2-4,7-9,21H,5-6H2,1H3
InChIKeyMKSSCXOVYPDHAC-UHFFFAOYSA-N
XLogP3.66
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,N-dimethyl-4-oxobutanamide;4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid
CID 161264557
methyl 4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoate;bis(methyl 4-(3-hydroxy-5-methylsulfonyloxy-2-pyridinyl)-4-oxobutanoate)
CID 162006009
4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,2,2-trimethyl-4-oxobutanamide
CID 59637256
methyl 4-[3-chloro-5-(3-chlorophenyl)-2-pyridinyl]-4-oxobutanoate
CID 165046778
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide
CID 158403612
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide
CID 160943915
5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid;methylurea
CID 67212196
2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide
CID 118085737
ethyl 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoate
CID 157404899
4-[3-hydroxy-5-(4-methylphenyl)-2-pyridinyl]-4-oxobutanoic acid
CID 59634167
methyl 4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-2,2-dimethyl-4-oxobutanoate;methyl 4-(3-hydroxy-5-methylsulfonyloxy-2-pyridinyl)-2,2-dimethyl-4-oxobutanoate
CID 159402109
4-[5-(4-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid
CID 59634166

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione?
The IUPAC name of 1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione (CID 148501489) is 1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione.
What is the SMILES notation for 1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione?
The canonical SMILES for 1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione is CC(=O)CCC(=O)c1ncc(-c2cccc(Cl)c2)cc1O.
What is the InChIKey of 1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione?
The InChIKey is MKSSCXOVYPDHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-10(19)5-6-14(20)16-15(21)8-12(9-18-16)11-3-2-4-13(17)7-11/h2-4,7-9,21H,5-6H2,1H3.
What are the key properties of 1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione?
1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione has a molecular weight of 303.75 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione is sourced from PubChem (CID 148501489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).