6-chloro-3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one

C9H10ClN3O — CID 90176744

IUPAC6-chloro-3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one
SMILESCC(C)n1c(=O)[nH]c2cc(Cl)ncc21
InChIInChI=1S/C9H10ClN3O/c1-5(2)13-7-4-11-8(10)3-6(7)12-9(13)14/h3-5H,1-2H3,(H,12,14)
InChIKeyLBUQSDFYXBSCIV-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.96
Rot. Bonds1

About 6-chloro-3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one

6-chloro-3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one (PubChem CID 90176744) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 6-chloro-3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one
PubChem CID90176744
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name6-chloro-3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one
SMILESCC(C)n1c(=O)[nH]c2cc(Cl)ncc21
InChIInChI=1S/C9H10ClN3O/c1-5(2)13-7-4-11-8(10)3-6(7)12-9(13)14/h3-5H,1-2H3,(H,12,14)
InChIKeyLBUQSDFYXBSCIV-UHFFFAOYSA-N
XLogP1.96
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Forchlorfenuron
CID 93379
Cfg-920
CID 49871869
4-Chloro-1,3-dihydro-1-methyl-2H-imidazo[4,5-c]pyridin-2-one
CID 911360
3H-Imidazo[4,5-c]pyridin-2-ol
CID 11686916
4-amino-1-methyl-1H,2H,3H-imidazo[4,5-c]pyridin-2-one
CID 12429097
6-Chloro-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one
CID 84021646
4-Chloro-3H-imidazo(4,5-c)pyridin-2-ol
CID 5425186
6-chloro-1,3-dimethyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
CID 767491
1-(2-Chloroethyl)-3-(2-chloro-3-pyridinyl)urea
CID 2343573
(3E)-1-(3-chloro-4-pyridinyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
CID 136124387
6-Chloro-3-methyl-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 657849
1-Isopropyl-1H-imidazo(4,5-c)pyridin-2-ol
CID 3682854

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 6-chloro-3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one (CID 90176744) is 6-chloro-3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 6-chloro-3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 6-chloro-3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one is CC(C)n1c(=O)[nH]c2cc(Cl)ncc21.
What is the InChIKey of 6-chloro-3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is LBUQSDFYXBSCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O/c1-5(2)13-7-4-11-8(10)3-6(7)12-9(13)14/h3-5H,1-2H3,(H,12,14).
What are the key properties of 6-chloro-3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one?
6-chloro-3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 211.65 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 90176744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).