6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine

C7H6BrF2N3O2 — CID 130106838

IUPAC6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine
SMILESNc1cc(CBr)nc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H6BrF2N3O2/c8-2-3-1-4(11)6(13(14)15)5(12-3)7(9)10/h1,7H,2H2,(H2,11,12)
InChIKeyNZACDYWUKUVDTD-UHFFFAOYSA-N
MW282.04 g/mol
LogP2.40
Rot. Bonds3

About 6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine

6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine (PubChem CID 130106838) has the molecular formula C7H6BrF2N3O2 and a molecular weight of 282.04 g/mol. Its IUPAC name is 6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine.

Molecular Properties

Compound Name6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine
PubChem CID130106838
Molecular FormulaC7H6BrF2N3O2
Molecular Weight282.04 g/mol
Exact Mass280.96
IUPAC Name6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine
SMILESNc1cc(CBr)nc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H6BrF2N3O2/c8-2-3-1-4(11)6(13(14)15)5(12-3)7(9)10/h1,7H,2H2,(H2,11,12)
InChIKeyNZACDYWUKUVDTD-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

6-bromo-2-(difluoromethyl)-3-nitropyridin-4-amine
CID 118833688
4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine
CID 130106809
6-(aminomethyl)-2-(difluoromethyl)-3-nitropyridine-4-carbonitrile
CID 130078539
6-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-3-amine
CID 130106849
2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine
CID 118834924
2-[6-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]acetonitrile
CID 130106902
2-[6-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]acetic acid
CID 134663970
2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetic acid
CID 118843110
3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine
CID 130106839
2-[6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetic acid
CID 130082055
6-bromo-2-(difluoromethyl)-4-methyl-3-nitropyridine
CID 130069110
6-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
CID 130081885

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine?
The IUPAC name of 6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine (CID 130106838) is 6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine.
What is the SMILES notation for 6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine?
The canonical SMILES for 6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine is Nc1cc(CBr)nc(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of 6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine?
The InChIKey is NZACDYWUKUVDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N3O2/c8-2-3-1-4(11)6(13(14)15)5(12-3)7(9)10/h1,7H,2H2,(H2,11,12).
What are the key properties of 6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-amine?
6-(bromomethyl)-2-(difluoromethyl)-3-nitropyridin-4-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)-3-nitropyridin-4-amine is sourced from PubChem (CID 130106838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).