[4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine

C7H6BrF2N3O2 — CID 118848230

IUPAC[4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine
SMILESNCc1ncc([N+](=O)[O-])c(Br)c1C(F)F
InChIInChI=1S/C7H6BrF2N3O2/c8-6-4(13(14)15)2-12-3(1-11)5(6)7(9)10/h2,7H,1,11H2
InChIKeyXZPSQWNRYIQMQZ-UHFFFAOYSA-N
MW282.04 g/mol
LogP2.15
Rot. Bonds3

About [4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine

[4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine (PubChem CID 118848230) has the molecular formula C7H6BrF2N3O2 and a molecular weight of 282.04 g/mol. Its IUPAC name is [4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine
PubChem CID118848230
Molecular FormulaC7H6BrF2N3O2
Molecular Weight282.04 g/mol
Exact Mass280.96
IUPAC Name[4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine
SMILESNCc1ncc([N+](=O)[O-])c(Br)c1C(F)F
InChIInChI=1S/C7H6BrF2N3O2/c8-6-4(13(14)15)2-12-3(1-11)5(6)7(9)10/h2,7H,1,11H2
InChIKeyXZPSQWNRYIQMQZ-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(aminomethyl)-4-bromo-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118831148
3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine
CID 130069118
2-bromo-3-(difluoromethyl)-4-methyl-5-nitropyridine
CID 118998930
[4-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine
CID 118814251
2-[4-amino-3-(difluoromethyl)-5-nitro-2-pyridinyl]acetonitrile
CID 130106921
[6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine
CID 118831501
[6-bromo-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanamine
CID 130069724
[3-(difluoromethyl)-4-methyl-5-nitro-2-pyridinyl]methanol
CID 130088275
ethyl 6-(aminomethyl)-4-bromo-5-(difluoromethyl)pyridine-3-carboxylate
CID 134671858
2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine
CID 134663951
6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 118847980
(5-methyl-3-nitro-2-pyridinyl)methanamine;hydrochloride
CID 162421679

Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine?
The IUPAC name of [4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine (CID 118848230) is [4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine.
What is the SMILES notation for [4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine?
The canonical SMILES for [4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine is NCc1ncc([N+](=O)[O-])c(Br)c1C(F)F.
What is the InChIKey of [4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine?
The InChIKey is XZPSQWNRYIQMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N3O2/c8-6-4(13(14)15)2-12-3(1-11)5(6)7(9)10/h2,7H,1,11H2.
What are the key properties of [4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine?
[4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine has a molecular weight of 282.04 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine is sourced from PubChem (CID 118848230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).