1-(4-chloro-2-pyridinyl)-2-(4-methoxyphenyl)ethane-1,2-dione

C14H10ClNO3 — CID 59763976

IUPAC1-(4-chloro-2-pyridinyl)-2-(4-methoxyphenyl)ethane-1,2-dione
SMILESCOc1ccc(C(=O)C(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C14H10ClNO3/c1-19-11-4-2-9(3-5-11)13(17)14(18)12-8-10(15)6-7-16-12/h2-8H,1H3
InChIKeyBVEKJMDKBSVHOF-UHFFFAOYSA-N
MW275.69 g/mol
LogP2.81
Rot. Bonds4

About 1-(4-chloro-2-pyridinyl)-2-(4-methoxyphenyl)ethane-1,2-dione

1-(4-chloro-2-pyridinyl)-2-(4-methoxyphenyl)ethane-1,2-dione (PubChem CID 59763976) has the molecular formula C14H10ClNO3 and a molecular weight of 275.69 g/mol. Its IUPAC name is 1-(4-chloro-2-pyridinyl)-2-(4-methoxyphenyl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-chloro-2-pyridinyl)-2-(4-methoxyphenyl)ethane-1,2-dione
PubChem CID59763976
Molecular FormulaC14H10ClNO3
Molecular Weight275.69 g/mol
Exact Mass275.03
IUPAC Name1-(4-chloro-2-pyridinyl)-2-(4-methoxyphenyl)ethane-1,2-dione
SMILESCOc1ccc(C(=O)C(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C14H10ClNO3/c1-19-11-4-2-9(3-5-11)13(17)14(18)12-8-10(15)6-7-16-12/h2-8H,1H3
InChIKeyBVEKJMDKBSVHOF-UHFFFAOYSA-N
XLogP2.81
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(4-chloro-2-pyridinyl)-2-(4-methoxyphenyl)ethane-1,2-dione 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

(4-methoxycarbonylphenyl) 4-chloropyridine-2-carboxylate
CID 7802632
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 60739451
4-N-(4-chlorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092859
N-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide
CID 46820321
4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 7598306
4-chloropyridine-2-carboxylic acid;dihydrochloride
CID 174449778
1-(4-chloro-2-pyridinyl)-2,2-dimethylpropan-1-one
CID 140918459
4-(3-chloroanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109220984
methyl 4-chloro-6-fluoropyridine-2-carboxylate;methyl 4-chloropyridine-2-carboxylate;hydroiodide
CID 159623363
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8588920

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-pyridinyl)-2-(4-methoxyphenyl)ethane-1,2-dione?
The IUPAC name of 1-(4-chloro-2-pyridinyl)-2-(4-methoxyphenyl)ethane-1,2-dione (CID 59763976) is 1-(4-chloro-2-pyridinyl)-2-(4-methoxyphenyl)ethane-1,2-dione.
What is the SMILES notation for 1-(4-chloro-2-pyridinyl)-2-(4-methoxyphenyl)ethane-1,2-dione?
The canonical SMILES for 1-(4-chloro-2-pyridinyl)-2-(4-methoxyphenyl)ethane-1,2-dione is COc1ccc(C(=O)C(=O)c2cc(Cl)ccn2)cc1.
What is the InChIKey of 1-(4-chloro-2-pyridinyl)-2-(4-methoxyphenyl)ethane-1,2-dione?
The InChIKey is BVEKJMDKBSVHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3/c1-19-11-4-2-9(3-5-11)13(17)14(18)12-8-10(15)6-7-16-12/h2-8H,1H3.
What are the key properties of 1-(4-chloro-2-pyridinyl)-2-(4-methoxyphenyl)ethane-1,2-dione?
1-(4-chloro-2-pyridinyl)-2-(4-methoxyphenyl)ethane-1,2-dione has a molecular weight of 275.69 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-pyridinyl)-2-(4-methoxyphenyl)ethane-1,2-dione is sourced from PubChem (CID 59763976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).