6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one

C14H9ClN2O2 — CID 43457490

IUPAC6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)c3cccnc3)c(Cl)cc2N1
InChIInChI=1S/C14H9ClN2O2/c15-11-6-12-9(5-13(18)17-12)4-10(11)14(19)8-2-1-3-16-7-8/h1-4,6-7H,5H2,(H,17,18)
InChIKeyCLKVKMZKGJNULC-UHFFFAOYSA-N
MW272.69 g/mol
LogP2.46
Rot. Bonds2

About 6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one

6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 43457490) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one
PubChem CID43457490
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)c3cccnc3)c(Cl)cc2N1
InChIInChI=1S/C14H9ClN2O2/c15-11-6-12-9(5-13(18)17-12)4-10(11)14(19)8-2-1-3-16-7-8/h1-4,6-7H,5H2,(H,17,18)
InChIKeyCLKVKMZKGJNULC-UHFFFAOYSA-N
XLogP2.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-(3-chloro-4-iodobenzoyl)-1,3-dihydroindol-2-one
CID 103219673
6-chloro-5-(2-chloro-6-fluorobenzoyl)-1,3-dihydroindol-2-one
CID 43457450
6-chloro-5-(2-chloro-4-methylbenzoyl)-1,3-dihydroindol-2-one
CID 106860794
5-(3-bromo-5-fluorobenzoyl)-6-chloro-1,3-dihydroindol-2-one
CID 43457411
5-(2-amino-5-methylbenzoyl)-6-chloro-1,3-dihydroindol-2-one
CID 65454554
5-(2-bromofuran-3-carbonyl)-6-chloro-1,3-dihydroindol-2-one
CID 106851318
6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one
CID 3730946
(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone
CID 112694365
6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one
CID 65151637
5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one
CID 10541398
N-(5-nitro-2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxamide
CID 22162132
6-chloro-5-(1-methylcyclohexanecarbonyl)-1,3-dihydroindol-2-one
CID 106826590

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one (CID 43457490) is 6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)c3cccnc3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is CLKVKMZKGJNULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-11-6-12-9(5-13(18)17-12)4-10(11)14(19)8-2-1-3-16-7-8/h1-4,6-7H,5H2,(H,17,18).
What are the key properties of 6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one?
6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 272.69 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43457490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).