6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine

C7H6BrF2N3O2 — CID 130106849

IUPAC6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine
SMILESNc1cc([N+](=O)[O-])c(CBr)nc1C(F)F
InChIInChI=1S/C7H6BrF2N3O2/c8-2-4-5(13(14)15)1-3(11)6(12-4)7(9)10/h1,7H,2,11H2
InChIKeyBUJZOOVVSSGLIL-UHFFFAOYSA-N
MW282.04 g/mol
LogP2.40
Rot. Bonds3

About 6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine

6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine (PubChem CID 130106849) has the molecular formula C7H6BrF2N3O2 and a molecular weight of 282.04 g/mol. Its IUPAC name is 6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine.

Molecular Properties

Compound Name6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine
PubChem CID130106849
Molecular FormulaC7H6BrF2N3O2
Molecular Weight282.04 g/mol
Exact Mass280.96
IUPAC Name6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine
SMILESNc1cc([N+](=O)[O-])c(CBr)nc1C(F)F
InChIInChI=1S/C7H6BrF2N3O2/c8-2-4-5(13(14)15)1-3(11)6(12-4)7(9)10/h1,7H,2,11H2
InChIKeyBUJZOOVVSSGLIL-UHFFFAOYSA-N
XLogP2.40
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.04
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine 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-(difluoromethyl)-5-nitropyridine-2,3-diamine
CID 119002066
6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine
CID 130106838
2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol
CID 118832789
4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine
CID 130106809
6-amino-2-(difluoromethyl)-4-nitropyridin-3-ol
CID 130104611
3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine
CID 130106839
2-[5-amino-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130107363
2-[6-(difluoromethyl)-5-fluoro-3-nitro-2-pyridinyl]acetic acid
CID 118803536
6-bromo-2-(difluoromethyl)-3-fluoro-4-nitropyridine
CID 130109420
2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
CID 134685549
[5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 130106958
2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol
CID 118832842

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine?
The IUPAC name of 6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine (CID 130106849) is 6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine.
What is the SMILES notation for 6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine?
The canonical SMILES for 6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine is Nc1cc([N+](=O)[O-])c(CBr)nc1C(F)F.
What is the InChIKey of 6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine?
The InChIKey is BUJZOOVVSSGLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N3O2/c8-2-4-5(13(14)15)1-3(11)6(12-4)7(9)10/h1,7H,2,11H2.
What are the key properties of 6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine?
6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine has a molecular weight of 282.04 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine is sourced from PubChem (CID 130106849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).