4-chloro-2-oxo-1-phenylpyridine-3-carbaldehyde

C12H8ClNO2 — CID 101460288

IUPAC4-chloro-2-oxo-1-phenylpyridine-3-carbaldehyde
SMILESO=Cc1c(Cl)ccn(-c2ccccc2)c1=O
InChIInChI=1S/C12H8ClNO2/c13-11-6-7-14(12(16)10(11)8-15)9-4-2-1-3-5-9/h1-8H
InChIKeyRKXMLNNNUVQTGO-UHFFFAOYSA-N
MW233.65 g/mol
LogP2.30
Rot. Bonds2

About 4-chloro-2-oxo-1-phenylpyridine-3-carbaldehyde

4-chloro-2-oxo-1-phenylpyridine-3-carbaldehyde (PubChem CID 101460288) has the molecular formula C12H8ClNO2 and a molecular weight of 233.65 g/mol. Its IUPAC name is 4-chloro-2-oxo-1-phenylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-oxo-1-phenylpyridine-3-carbaldehyde
PubChem CID101460288
Molecular FormulaC12H8ClNO2
Molecular Weight233.65 g/mol
Exact Mass233.02
IUPAC Name4-chloro-2-oxo-1-phenylpyridine-3-carbaldehyde
SMILESO=Cc1c(Cl)ccn(-c2ccccc2)c1=O
InChIInChI=1S/C12H8ClNO2/c13-11-6-7-14(12(16)10(11)8-15)9-4-2-1-3-5-9/h1-8H
InChIKeyRKXMLNNNUVQTGO-UHFFFAOYSA-N
XLogP2.30
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-oxo-1-phenylpyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbaldehyde
CID 143672150
1-(4-fluorophenyl)-4-iodo-2-oxopyridine-3-carbaldehyde
CID 25231976
4-(1-oxoisoquinolin-2-yl)benzaldehyde
CID 123457542
2,6-dichlorobenzaldehyde;ethane
CID 90823593
2-chloro-6-(8-fluoro-6-methyl-1-oxoisoquinolin-2-yl)benzaldehyde
CID 59473807
1,9-diphenylpyrido[3,2-g]quinoline-4,6-dione
CID 146334082
5-chloro-1,3-diphenylpyrazole-4-carbaldehyde
CID 736659
1-(benzenesulfonyl)-3-chloropyrrole-2-carbaldehyde
CID 23510477
3-methyl-1-phenylpyrimidine-2,4-dione
CID 14566646
2-chloronaphthalene-1-carbaldehyde
CID 19065818
N-(2-oxo-1-phenylpyrimidin-4-yl)formamide
CID 154650491
4-methyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 175789879

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-oxo-1-phenylpyridine-3-carbaldehyde?
The IUPAC name of 4-chloro-2-oxo-1-phenylpyridine-3-carbaldehyde (CID 101460288) is 4-chloro-2-oxo-1-phenylpyridine-3-carbaldehyde.
What is the SMILES notation for 4-chloro-2-oxo-1-phenylpyridine-3-carbaldehyde?
The canonical SMILES for 4-chloro-2-oxo-1-phenylpyridine-3-carbaldehyde is O=Cc1c(Cl)ccn(-c2ccccc2)c1=O.
What is the InChIKey of 4-chloro-2-oxo-1-phenylpyridine-3-carbaldehyde?
The InChIKey is RKXMLNNNUVQTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO2/c13-11-6-7-14(12(16)10(11)8-15)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 4-chloro-2-oxo-1-phenylpyridine-3-carbaldehyde?
4-chloro-2-oxo-1-phenylpyridine-3-carbaldehyde has a molecular weight of 233.65 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-oxo-1-phenylpyridine-3-carbaldehyde is sourced from PubChem (CID 101460288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).