5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine

C6H4BrF2N3O2 — CID 130101837

IUPAC5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine
SMILESNc1c([N+](=O)[O-])ncc(Br)c1C(F)F
InChIInChI=1S/C6H4BrF2N3O2/c7-2-1-11-6(12(13)14)4(10)3(2)5(8)9/h1,5H,10H2
InChIKeyRRUIUXQEOJUTIN-UHFFFAOYSA-N
MW268.02 g/mol
LogP2.27
Rot. Bonds2

About 5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine

5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine (PubChem CID 130101837) has the molecular formula C6H4BrF2N3O2 and a molecular weight of 268.02 g/mol. Its IUPAC name is 5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine
PubChem CID130101837
Molecular FormulaC6H4BrF2N3O2
Molecular Weight268.02 g/mol
Exact Mass266.95
IUPAC Name5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine
SMILESNc1c([N+](=O)[O-])ncc(Br)c1C(F)F
InChIInChI=1S/C6H4BrF2N3O2/c7-2-1-11-6(12(13)14)4(10)3(2)5(8)9/h1,5H,10H2
InChIKeyRRUIUXQEOJUTIN-UHFFFAOYSA-N
XLogP2.27
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.02
LogP ≤ 52.27
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

5-amino-4-(difluoromethyl)-6-nitropyridin-3-ol
CID 130104620
5-bromo-3-chloro-4-(difluoromethyl)-2-nitropyridine
CID 130107993
5-bromo-4-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 130069945
5-bromo-4-(difluoromethyl)-2-nitro-3-(trifluoromethyl)pyridine
CID 134675322
5-bromo-3-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130068182
5-bromo-4-chloro-3-(difluoromethyl)-2-nitropyridine
CID 130107987
5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine
CID 130106874
4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102613
methyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate
CID 134673946
3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine
CID 130069120
6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130109415
5-amino-3-(difluoromethyl)-2-nitropyridine-4-carboxylic acid
CID 134683272

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine?
The IUPAC name of 5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine (CID 130101837) is 5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine.
What is the SMILES notation for 5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine?
The canonical SMILES for 5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine is Nc1c([N+](=O)[O-])ncc(Br)c1C(F)F.
What is the InChIKey of 5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine?
The InChIKey is RRUIUXQEOJUTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2N3O2/c7-2-1-11-6(12(13)14)4(10)3(2)5(8)9/h1,5H,10H2.
What are the key properties of 5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine?
5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine has a molecular weight of 268.02 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine is sourced from PubChem (CID 130101837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).