3-(benzylideneamino)-5-bromopyridin-2-amine

C12H10BrN3 — CID 838785

IUPAC3-(benzylideneamino)-5-bromopyridin-2-amine
SMILESNc1ncc(Br)cc1/N=C/c1ccccc1
InChIInChI=1S/C12H10BrN3/c13-10-6-11(12(14)16-8-10)15-7-9-4-2-1-3-5-9/h1-8H,(H2,14,16)/b15-7+
InChIKeyOZFHWELCBWFVEW-VIZOYTHASA-N
MW276.14 g/mol
LogP3.18
Rot. Bonds2

About 3-(benzylideneamino)-5-bromopyridin-2-amine

3-(benzylideneamino)-5-bromopyridin-2-amine (PubChem CID 838785) has the molecular formula C12H10BrN3 and a molecular weight of 276.14 g/mol. Its IUPAC name is 3-(benzylideneamino)-5-bromopyridin-2-amine.

Molecular Properties

Compound Name3-(benzylideneamino)-5-bromopyridin-2-amine
PubChem CID838785
Molecular FormulaC12H10BrN3
Molecular Weight276.14 g/mol
Exact Mass275.01
IUPAC Name3-(benzylideneamino)-5-bromopyridin-2-amine
SMILESNc1ncc(Br)cc1/N=C/c1ccccc1
InChIInChI=1S/C12H10BrN3/c13-10-6-11(12(14)16-8-10)15-7-9-4-2-1-3-5-9/h1-8H,(H2,14,16)/b15-7+
InChIKeyOZFHWELCBWFVEW-VIZOYTHASA-N
XLogP3.18
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-Phenyl-2-pyridinamine
CID 105097
5-Bromopyridine-2,3-diamine
CID 691156
4-Methylpyridine-2,3-diamine
CID 317495
Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-phenylethyl)-
CID 2429552
N~3~-Benzylpyridine-2,3-diamine
CID 10397869
HI-240
CID 3001767
N-[2-(3-Fluorophenethyl)]-N'-[2-(5-bromopyridyl)]-thiourea
CID 3001770
5-bromo-2-nitro-N-phenylpyridin-3-amine
CID 2842429
2-Amino-5-phenylpyrazine
CID 598734
2-Amino-5-bromo-4-methylpyridine
CID 817695
N-(Phenylmethylene)-2-pyridinamine
CID 9567757
PETT deriv. 6
CID 492697

Frequently Asked Questions

What is the IUPAC name of 3-(benzylideneamino)-5-bromopyridin-2-amine?
The IUPAC name of 3-(benzylideneamino)-5-bromopyridin-2-amine (CID 838785) is 3-(benzylideneamino)-5-bromopyridin-2-amine.
What is the SMILES notation for 3-(benzylideneamino)-5-bromopyridin-2-amine?
The canonical SMILES for 3-(benzylideneamino)-5-bromopyridin-2-amine is Nc1ncc(Br)cc1/N=C/c1ccccc1.
What is the InChIKey of 3-(benzylideneamino)-5-bromopyridin-2-amine?
The InChIKey is OZFHWELCBWFVEW-VIZOYTHASA-N. The full InChI is InChI=1S/C12H10BrN3/c13-10-6-11(12(14)16-8-10)15-7-9-4-2-1-3-5-9/h1-8H,(H2,14,16)/b15-7+.
What are the key properties of 3-(benzylideneamino)-5-bromopyridin-2-amine?
3-(benzylideneamino)-5-bromopyridin-2-amine has a molecular weight of 276.14 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylideneamino)-5-bromopyridin-2-amine is sourced from PubChem (CID 838785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).