4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid

C14H11BrN4O2 — CID 70685228

IUPAC4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid
SMILESCNc1c(Br)cnc2nc(-c3ccc(C(=O)O)cc3)[nH]c12
InChIInChI=1S/C14H11BrN4O2/c1-16-10-9(15)6-17-13-11(10)18-12(19-13)7-2-4-8(5-3-7)14(20)21/h2-6H,1H3,(H,20,21)(H2,16,17,18,19)
InChIKeyZNBXHMDTLSAOFO-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.13
Rot. Bonds3

About 4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid

4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid (PubChem CID 70685228) has the molecular formula C14H11BrN4O2 and a molecular weight of 347.17 g/mol. Its IUPAC name is 4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid
PubChem CID70685228
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC Name4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid
SMILESCNc1c(Br)cnc2nc(-c3ccc(C(=O)O)cc3)[nH]c12
InChIInChI=1S/C14H11BrN4O2/c1-16-10-9(15)6-17-13-11(10)18-12(19-13)7-2-4-8(5-3-7)14(20)21/h2-6H,1H3,(H,20,21)(H2,16,17,18,19)
InChIKeyZNBXHMDTLSAOFO-UHFFFAOYSA-N
XLogP3.13
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid?
The IUPAC name of 4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid (CID 70685228) is 4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid.
What is the SMILES notation for 4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid?
The canonical SMILES for 4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid is CNc1c(Br)cnc2nc(-c3ccc(C(=O)O)cc3)[nH]c12.
What is the InChIKey of 4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid?
The InChIKey is ZNBXHMDTLSAOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c1-16-10-9(15)6-17-13-11(10)18-12(19-13)7-2-4-8(5-3-7)14(20)21/h2-6H,1H3,(H,20,21)(H2,16,17,18,19).
What are the key properties of 4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid?
4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid has a molecular weight of 347.17 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]benzoic acid is sourced from PubChem (CID 70685228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).