3-(2,5-dichloro-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine

C14H12Cl2N4 — CID 104727548

IUPAC3-(2,5-dichloro-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2-c1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C14H12Cl2N4/c1-7-3-11-13(18-6-7)20(14(17)19-11)12-5-9(15)8(2)4-10(12)16/h3-6H,1-2H3,(H2,17,19)
InChIKeyXNRLPCDZPVRGMP-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.93
Rot. Bonds1

About 3-(2,5-dichloro-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine

3-(2,5-dichloro-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 104727548) has the molecular formula C14H12Cl2N4 and a molecular weight of 307.18 g/mol. Its IUPAC name is 3-(2,5-dichloro-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(2,5-dichloro-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID104727548
Molecular FormulaC14H12Cl2N4
Molecular Weight307.18 g/mol
Exact Mass306.04
IUPAC Name3-(2,5-dichloro-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2-c1cc(Cl)c(C)cc1Cl
InChIInChI=1S/C14H12Cl2N4/c1-7-3-11-13(18-6-7)20(14(17)19-11)12-5-9(15)8(2)4-10(12)16/h3-6H,1-2H3,(H2,17,19)
InChIKeyXNRLPCDZPVRGMP-UHFFFAOYSA-N
XLogP3.93
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichloro-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(2,5-dichloro-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine (CID 104727548) is 3-(2,5-dichloro-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(2,5-dichloro-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(2,5-dichloro-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine is Cc1cnc2c(c1)nc(N)n2-c1cc(Cl)c(C)cc1Cl.
What is the InChIKey of 3-(2,5-dichloro-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is XNRLPCDZPVRGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4/c1-7-3-11-13(18-6-7)20(14(17)19-11)12-5-9(15)8(2)4-10(12)16/h3-6H,1-2H3,(H2,17,19).
What are the key properties of 3-(2,5-dichloro-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine?
3-(2,5-dichloro-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 307.18 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichloro-4-methylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 104727548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).