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

C7H6BrF2N3O2 — CID 130106809

IUPAC4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine
SMILESNc1cc(CBr)c([N+](=O)[O-])c(C(F)F)n1
InChIInChI=1S/C7H6BrF2N3O2/c8-2-3-1-4(11)12-5(7(9)10)6(3)13(14)15/h1,7H,2H2,(H2,11,12)
InChIKeyDYEMXKMDYXWHNJ-UHFFFAOYSA-N
MW282.04 g/mol
LogP2.40
Rot. Bonds3

About 4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine

4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine (PubChem CID 130106809) has the molecular formula C7H6BrF2N3O2 and a molecular weight of 282.04 g/mol. Its IUPAC name is 4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine
PubChem CID130106809
Molecular FormulaC7H6BrF2N3O2
Molecular Weight282.04 g/mol
Exact Mass280.96
IUPAC Name4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine
SMILESNc1cc(CBr)c([N+](=O)[O-])c(C(F)F)n1
InChIInChI=1S/C7H6BrF2N3O2/c8-2-3-1-4(11)12-5(7(9)10)6(3)13(14)15/h1,7H,2H2,(H2,11,12)
InChIKeyDYEMXKMDYXWHNJ-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'}

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Related Compounds

2-[6-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]acetic acid
CID 134663970
2-[6-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]acetonitrile
CID 130106902
6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine
CID 130106838
6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine
CID 118833688
[6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol
CID 130107153
4-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 130107064
6-amino-2-(difluoromethyl)-4-nitropyridin-3-ol
CID 130104611
6-bromo-2-(difluoromethyl)-4-methyl-3-nitropyridine
CID 130069110
6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine
CID 130106849
ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
CID 134683777
5-(bromomethyl)-4-(difluoromethyl)-2-methyl-3-nitropyridine
CID 130088194
5-(bromomethyl)-2-chloro-4-(difluoromethyl)-3-nitropyridine
CID 130074711

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine?
The IUPAC name of 4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine (CID 130106809) is 4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine.
What is the SMILES notation for 4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine?
The canonical SMILES for 4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine is Nc1cc(CBr)c([N+](=O)[O-])c(C(F)F)n1.
What is the InChIKey of 4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine?
The InChIKey is DYEMXKMDYXWHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N3O2/c8-2-3-1-4(11)12-5(7(9)10)6(3)13(14)15/h1,7H,2H2,(H2,11,12).
What are the key properties of 4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine?
4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-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 4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 130106809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).