3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine

C11H11BrN4 — CID 79531942

IUPAC3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
SMILESNc1cnc(NCc2cccnc2)c(Br)c1
InChIInChI=1S/C11H11BrN4/c12-10-4-9(13)7-16-11(10)15-6-8-2-1-3-14-5-8/h1-5,7H,6,13H2,(H,15,16)
InChIKeyXXMXINDNJXANGG-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.43
Rot. Bonds3

About 3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine

3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine (PubChem CID 79531942) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
PubChem CID79531942
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
SMILESNc1cnc(NCc2cccnc2)c(Br)c1
InChIInChI=1S/C11H11BrN4/c12-10-4-9(13)7-16-11(10)15-6-8-2-1-3-14-5-8/h1-5,7H,6,13H2,(H,15,16)
InChIKeyXXMXINDNJXANGG-UHFFFAOYSA-N
XLogP2.43
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-hydrazinyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542824
5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 87529176
3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine
CID 79535450
5-bromo-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 63873980
4-bromo-1-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 43115534
3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 79532611
4-N-(3,5-dichlorophenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542701
3-fluoro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62733975
3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine
CID 79532457
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
6-(4-bromophenoxy)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542905
2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine
CID 70165419

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine (CID 79531942) is 3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine is Nc1cnc(NCc2cccnc2)c(Br)c1.
What is the InChIKey of 3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine?
The InChIKey is XXMXINDNJXANGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c12-10-4-9(13)7-16-11(10)15-6-8-2-1-3-14-5-8/h1-5,7H,6,13H2,(H,15,16).
What are the key properties of 3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine?
3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine has a molecular weight of 279.14 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 79531942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).