1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride

C16H16ClNO2 — CID 82521125

IUPAC1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride
SMILESCC(C)Cn1c(-c2ccccc2)ccc(C(=O)Cl)c1=O
InChIInChI=1S/C16H16ClNO2/c1-11(2)10-18-14(12-6-4-3-5-7-12)9-8-13(15(17)19)16(18)20/h3-9,11H,10H2,1-2H3
InChIKeyLACLFGLQRSEDNI-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.55
Rot. Bonds4

About 1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride

1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride (PubChem CID 82521125) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride
PubChem CID82521125
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride
SMILESCC(C)Cn1c(-c2ccccc2)ccc(C(=O)Cl)c1=O
InChIInChI=1S/C16H16ClNO2/c1-11(2)10-18-14(12-6-4-3-5-7-12)9-8-13(15(17)19)16(18)20/h3-9,11H,10H2,1-2H3
InChIKeyLACLFGLQRSEDNI-UHFFFAOYSA-N
XLogP3.55
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
CID 82099701
1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
CID 19695842
6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbohydrazide
CID 82519493
2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride
CID 82447273
2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid
CID 82519501
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519259
2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid
CID 82521071
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride
CID 82519475
3-(chloromethyl)-1-(3-methylbutyl)-6-phenylpyridin-2-one
CID 82521073
6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099160
6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride
CID 82518972
6-(4-methylphenyl)-1-(2-methylpropyl)-2-oxopyridine-3-carbonitrile
CID 82099063

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride?
The IUPAC name of 1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride (CID 82521125) is 1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride.
What is the SMILES notation for 1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride?
The canonical SMILES for 1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride is CC(C)Cn1c(-c2ccccc2)ccc(C(=O)Cl)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride?
The InChIKey is LACLFGLQRSEDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11(2)10-18-14(12-6-4-3-5-7-12)9-8-13(15(17)19)16(18)20/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride?
1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride has a molecular weight of 289.76 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride is sourced from PubChem (CID 82521125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).