3-[(4-bromophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine

C14H13BrN4 — CID 79288588

IUPAC3-[(4-bromophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2Cc1ccc(Br)cc1
InChIInChI=1S/C14H13BrN4/c1-9-6-7-17-13-12(9)18-14(16)19(13)8-10-2-4-11(15)5-3-10/h2-7H,8H2,1H3,(H2,16,18)
InChIKeyRMSGARVMDHOTNX-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.13
Rot. Bonds2

About 3-[(4-bromophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine

3-[(4-bromophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 79288588) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID79288588
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC Name3-[(4-bromophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2Cc1ccc(Br)cc1
InChIInChI=1S/C14H13BrN4/c1-9-6-7-17-13-12(9)18-14(16)19(13)8-10-2-4-11(15)5-3-10/h2-7H,8H2,1H3,(H2,16,18)
InChIKeyRMSGARVMDHOTNX-UHFFFAOYSA-N
XLogP3.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[(4-bromophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine (CID 79288588) is 3-[(4-bromophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine is Cc1ccnc2c1nc(N)n2Cc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is RMSGARVMDHOTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c1-9-6-7-17-13-12(9)18-14(16)19(13)8-10-2-4-11(15)5-3-10/h2-7H,8H2,1H3,(H2,16,18).
What are the key properties of 3-[(4-bromophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
3-[(4-bromophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 317.19 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79288588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).