6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C7H6ClN3O — CID 144579589

IUPAC6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCc1nc2[nH]c(=O)[nH]c2cc1Cl
InChIInChI=1S/C7H6ClN3O/c1-3-4(8)2-5-6(9-3)11-7(12)10-5/h2H,1H3,(H2,9,10,11,12)
InChIKeyKYGXNHGPESYSPL-UHFFFAOYSA-N
MW183.60 g/mol
LogP1.21
Rot. Bonds

About 6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one

6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 144579589) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is 6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID144579589
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC Name6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCc1nc2[nH]c(=O)[nH]c2cc1Cl
InChIInChI=1S/C7H6ClN3O/c1-3-4(8)2-5-6(9-3)11-7(12)10-5/h2H,1H3,(H2,9,10,11,12)
InChIKeyKYGXNHGPESYSPL-UHFFFAOYSA-N
XLogP1.21
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 144579589) is 6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one is Cc1nc2[nH]c(=O)[nH]c2cc1Cl.
What is the InChIKey of 6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is KYGXNHGPESYSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O/c1-3-4(8)2-5-6(9-3)11-7(12)10-5/h2H,1H3,(H2,9,10,11,12).
What are the key properties of 6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 183.60 g/mol, XLogP of 1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 144579589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).