[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid

C13H8BrClN4O2 — CID 90403447

IUPAC[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid
SMILESO=C(O)Nc1ccc(Cl)c(-c2nc3ncc(Br)cc3[nH]2)c1
InChIInChI=1S/C13H8BrClN4O2/c14-6-3-10-12(16-5-6)19-11(18-10)8-4-7(17-13(20)21)1-2-9(8)15/h1-5,17H,(H,20,21)(H,16,18,19)
InChIKeyIDSRYVNPWVSYQD-UHFFFAOYSA-N
MW367.59 g/mol
LogP4.13
Rot. Bonds2

About [3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid

[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid (PubChem CID 90403447) has the molecular formula C13H8BrClN4O2 and a molecular weight of 367.59 g/mol. Its IUPAC name is [3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid.

Molecular Properties

Compound Name[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid
PubChem CID90403447
Molecular FormulaC13H8BrClN4O2
Molecular Weight367.59 g/mol
Exact Mass365.95
IUPAC Name[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid
SMILESO=C(O)Nc1ccc(Cl)c(-c2nc3ncc(Br)cc3[nH]2)c1
InChIInChI=1S/C13H8BrClN4O2/c14-6-3-10-12(16-5-6)19-11(18-10)8-4-7(17-13(20)21)1-2-9(8)15/h1-5,17H,(H,20,21)(H,16,18,19)
InChIKeyIDSRYVNPWVSYQD-UHFFFAOYSA-N
XLogP4.13
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.59
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid?
The IUPAC name of [3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid (CID 90403447) is [3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid.
What is the SMILES notation for [3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid?
The canonical SMILES for [3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid is O=C(O)Nc1ccc(Cl)c(-c2nc3ncc(Br)cc3[nH]2)c1.
What is the InChIKey of [3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid?
The InChIKey is IDSRYVNPWVSYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN4O2/c14-6-3-10-12(16-5-6)19-11(18-10)8-4-7(17-13(20)21)1-2-9(8)15/h1-5,17H,(H,20,21)(H,16,18,19).
What are the key properties of [3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid?
[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid has a molecular weight of 367.59 g/mol, XLogP of 4.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]carbamic acid is sourced from PubChem (CID 90403447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).