4-[(6-chloro-3-pyridinyl)methyl]-1-(5-nitro-2-pyridinyl)imidazo[4,5-b]pyridin-2-one

C17H11ClN6O3 — CID 166680841

IUPAC4-[(6-chloro-3-pyridinyl)methyl]-1-(5-nitro-2-pyridinyl)imidazo[4,5-b]pyridin-2-one
SMILESO=c1nc2n(Cc3ccc(Cl)nc3)cccc-2n1-c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C17H11ClN6O3/c18-14-5-3-11(8-19-14)10-22-7-1-2-13-16(22)21-17(25)23(13)15-6-4-12(9-20-15)24(26)27/h1-9H,10H2
InChIKeyUUGAAUICGFZSEI-UHFFFAOYSA-N
MW382.77 g/mol
LogP2.54
Rot. Bonds4

About 4-[(6-chloro-3-pyridinyl)methyl]-1-(5-nitro-2-pyridinyl)imidazo[4,5-b]pyridin-2-one

4-[(6-chloro-3-pyridinyl)methyl]-1-(5-nitro-2-pyridinyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 166680841) has the molecular formula C17H11ClN6O3 and a molecular weight of 382.77 g/mol. Its IUPAC name is 4-[(6-chloro-3-pyridinyl)methyl]-1-(5-nitro-2-pyridinyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name4-[(6-chloro-3-pyridinyl)methyl]-1-(5-nitro-2-pyridinyl)imidazo[4,5-b]pyridin-2-one
PubChem CID166680841
Molecular FormulaC17H11ClN6O3
Molecular Weight382.77 g/mol
Exact Mass382.06
IUPAC Name4-[(6-chloro-3-pyridinyl)methyl]-1-(5-nitro-2-pyridinyl)imidazo[4,5-b]pyridin-2-one
SMILESO=c1nc2n(Cc3ccc(Cl)nc3)cccc-2n1-c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C17H11ClN6O3/c18-14-5-3-11(8-19-14)10-22-7-1-2-13-16(22)21-17(25)23(13)15-6-4-12(9-20-15)24(26)27/h1-9H,10H2
InChIKeyUUGAAUICGFZSEI-UHFFFAOYSA-N
XLogP2.54
TPSA108.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3-pyridinyl)methyl]-1-(5-nitro-2-pyridinyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 4-[(6-chloro-3-pyridinyl)methyl]-1-(5-nitro-2-pyridinyl)imidazo[4,5-b]pyridin-2-one (CID 166680841) is 4-[(6-chloro-3-pyridinyl)methyl]-1-(5-nitro-2-pyridinyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 4-[(6-chloro-3-pyridinyl)methyl]-1-(5-nitro-2-pyridinyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 4-[(6-chloro-3-pyridinyl)methyl]-1-(5-nitro-2-pyridinyl)imidazo[4,5-b]pyridin-2-one is O=c1nc2n(Cc3ccc(Cl)nc3)cccc-2n1-c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 4-[(6-chloro-3-pyridinyl)methyl]-1-(5-nitro-2-pyridinyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is UUGAAUICGFZSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN6O3/c18-14-5-3-11(8-19-14)10-22-7-1-2-13-16(22)21-17(25)23(13)15-6-4-12(9-20-15)24(26)27/h1-9H,10H2.
What are the key properties of 4-[(6-chloro-3-pyridinyl)methyl]-1-(5-nitro-2-pyridinyl)imidazo[4,5-b]pyridin-2-one?
4-[(6-chloro-3-pyridinyl)methyl]-1-(5-nitro-2-pyridinyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 382.77 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-3-pyridinyl)methyl]-1-(5-nitro-2-pyridinyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 166680841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).