1-[(2-chloro-4-pyridinyl)methyl]-4,7-difluoroindole-2,3-dione

C14H7ClF2N2O2 — CID 83206438

IUPAC1-[(2-chloro-4-pyridinyl)methyl]-4,7-difluoroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccnc(Cl)c2)c2c(F)ccc(F)c21
InChIInChI=1S/C14H7ClF2N2O2/c15-10-5-7(3-4-18-10)6-19-12-9(17)2-1-8(16)11(12)13(20)14(19)21/h1-5H,6H2
InChIKeyRWVKWOUKUPXBEV-UHFFFAOYSA-N
MW308.67 g/mol
LogP2.74
Rot. Bonds2

About 1-[(2-chloro-4-pyridinyl)methyl]-4,7-difluoroindole-2,3-dione

1-[(2-chloro-4-pyridinyl)methyl]-4,7-difluoroindole-2,3-dione (PubChem CID 83206438) has the molecular formula C14H7ClF2N2O2 and a molecular weight of 308.67 g/mol. Its IUPAC name is 1-[(2-chloro-4-pyridinyl)methyl]-4,7-difluoroindole-2,3-dione.

Molecular Properties

Compound Name1-[(2-chloro-4-pyridinyl)methyl]-4,7-difluoroindole-2,3-dione
PubChem CID83206438
Molecular FormulaC14H7ClF2N2O2
Molecular Weight308.67 g/mol
Exact Mass308.02
IUPAC Name1-[(2-chloro-4-pyridinyl)methyl]-4,7-difluoroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccnc(Cl)c2)c2c(F)ccc(F)c21
InChIInChI=1S/C14H7ClF2N2O2/c15-10-5-7(3-4-18-10)6-19-12-9(17)2-1-8(16)11(12)13(20)14(19)21/h1-5H,6H2
InChIKeyRWVKWOUKUPXBEV-UHFFFAOYSA-N
XLogP2.74
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.67
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[(2-chloro-4-pyridinyl)methyl]-4,7-difluoroindole-2,3-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

(E)-4-chloro-3-(2-oxo-2-(pyridin-3-yl)ethylidene)-1-phenylindolin-2-one
CID 54586674
(3E)-3-[[1-[(2-chloro-6-fluorophenyl)methyl]pyridin-1-ium-4-yl]methylidene]-1H-indol-2-one chloride
CID 118708845
(E)-4-chloro-3-(2-oxo-2-(pyridin-3-yl)ethylidene)-1-(3-phenylpropyl)indolin-2-one
CID 54581834
(E)-4-chloro-3-(2-oxo-2-(pyridin-2-yl)ethylidene)indolin-2-one
CID 54582754
(E)-4-chloro-3-(2-oxo-2-(pyridin-4-yl)ethylidene)indolin-2-one
CID 54582755
(E)-1-benzyl-4-chloro-3-(2-oxo-2-(pyridin-3-yl)ethylidene)indolin-2-one
CID 54583770
(E)-4-chloro-3-(2-oxo-2-(pyridin-3-yl)ethylidene)indolin-2-one
CID 54585611
(E)-4-chloro-1-isobutyl-3-(2-oxo-2-(pyridin-3-yl)ethylidene)indolin-2-one
CID 54586673
1-(Pyridin-4-ylmethyl)indoline-2,3-dione
CID 8035385
2-[6-(4-chlorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]-N,N-dihexylacetamide
CID 10742972
6-(4-Chlorophenyl)-6,7-dihydro-5-oxo-N,N-dipropyl-5H-pyrrolo[3,4-b]pyridine-7-acetamide
CID 10786355
2-[(6-chloro-3-pyridinyl)methyl]-1H-indazol-3-one
CID 14898738

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-pyridinyl)methyl]-4,7-difluoroindole-2,3-dione?
The IUPAC name of 1-[(2-chloro-4-pyridinyl)methyl]-4,7-difluoroindole-2,3-dione (CID 83206438) is 1-[(2-chloro-4-pyridinyl)methyl]-4,7-difluoroindole-2,3-dione.
What is the SMILES notation for 1-[(2-chloro-4-pyridinyl)methyl]-4,7-difluoroindole-2,3-dione?
The canonical SMILES for 1-[(2-chloro-4-pyridinyl)methyl]-4,7-difluoroindole-2,3-dione is O=C1C(=O)N(Cc2ccnc(Cl)c2)c2c(F)ccc(F)c21.
What is the InChIKey of 1-[(2-chloro-4-pyridinyl)methyl]-4,7-difluoroindole-2,3-dione?
The InChIKey is RWVKWOUKUPXBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF2N2O2/c15-10-5-7(3-4-18-10)6-19-12-9(17)2-1-8(16)11(12)13(20)14(19)21/h1-5H,6H2.
What are the key properties of 1-[(2-chloro-4-pyridinyl)methyl]-4,7-difluoroindole-2,3-dione?
1-[(2-chloro-4-pyridinyl)methyl]-4,7-difluoroindole-2,3-dione has a molecular weight of 308.67 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-pyridinyl)methyl]-4,7-difluoroindole-2,3-dione is sourced from PubChem (CID 83206438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).