3-(2-bromo-5-chloro-4-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine

C14H12BrClN4 — CID 104724625

IUPAC3-(2-bromo-5-chloro-4-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1cc(Br)c(-n2c(N)nc3c(C)ccnc32)cc1Cl
InChIInChI=1S/C14H12BrClN4/c1-7-3-4-18-13-12(7)19-14(17)20(13)11-6-10(16)8(2)5-9(11)15/h3-6H,1-2H3,(H2,17,19)
InChIKeyLRDKNLNZUNWVHT-UHFFFAOYSA-N
MW351.64 g/mol
LogP4.04
Rot. Bonds1

About 3-(2-bromo-5-chloro-4-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine

3-(2-bromo-5-chloro-4-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 104724625) has the molecular formula C14H12BrClN4 and a molecular weight of 351.64 g/mol. Its IUPAC name is 3-(2-bromo-5-chloro-4-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(2-bromo-5-chloro-4-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID104724625
Molecular FormulaC14H12BrClN4
Molecular Weight351.64 g/mol
Exact Mass349.99
IUPAC Name3-(2-bromo-5-chloro-4-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1cc(Br)c(-n2c(N)nc3c(C)ccnc32)cc1Cl
InChIInChI=1S/C14H12BrClN4/c1-7-3-4-18-13-12(7)19-14(17)20(13)11-6-10(16)8(2)5-9(11)15/h3-6H,1-2H3,(H2,17,19)
InChIKeyLRDKNLNZUNWVHT-UHFFFAOYSA-N
XLogP4.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.64
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-chloro-4-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(2-bromo-5-chloro-4-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine (CID 104724625) is 3-(2-bromo-5-chloro-4-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(2-bromo-5-chloro-4-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(2-bromo-5-chloro-4-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine is Cc1cc(Br)c(-n2c(N)nc3c(C)ccnc32)cc1Cl.
What is the InChIKey of 3-(2-bromo-5-chloro-4-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is LRDKNLNZUNWVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN4/c1-7-3-4-18-13-12(7)19-14(17)20(13)11-6-10(16)8(2)5-9(11)15/h3-6H,1-2H3,(H2,17,19).
What are the key properties of 3-(2-bromo-5-chloro-4-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine?
3-(2-bromo-5-chloro-4-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 351.64 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-chloro-4-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 104724625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).