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

C6H4BrF2N3O2 — CID 130101818

IUPAC5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine
SMILESNc1cc(C(F)F)c(Br)c([N+](=O)[O-])n1
InChIInChI=1S/C6H4BrF2N3O2/c7-4-2(5(8)9)1-3(10)11-6(4)12(13)14/h1,5H,(H2,10,11)
InChIKeyWNHNYFUGQXRZOM-UHFFFAOYSA-N
MW268.02 g/mol
LogP2.27
Rot. Bonds2

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

5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine (PubChem CID 130101818) has the molecular formula C6H4BrF2N3O2 and a molecular weight of 268.02 g/mol. Its IUPAC name is 5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine
PubChem CID130101818
Molecular FormulaC6H4BrF2N3O2
Molecular Weight268.02 g/mol
Exact Mass266.95
IUPAC Name5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine
SMILESNc1cc(C(F)F)c(Br)c([N+](=O)[O-])n1
InChIInChI=1S/C6H4BrF2N3O2/c7-4-2(5(8)9)1-3(10)11-6(4)12(13)14/h1,5H,(H2,10,11)
InChIKeyWNHNYFUGQXRZOM-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

4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine
CID 130103945
4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine
CID 130105846
5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine
CID 119014971
6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 119018210
3-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134684319
6-amino-3-(difluoromethyl)-2-nitropyridine-4-sulfonamide
CID 134676922
6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102626
6-amino-4-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131269677
4-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 118844275
5-(difluoromethyl)-6-nitro-3-(trifluoromethyl)pyridin-2-amine
CID 119012824
4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 118828181
6-amino-5-(difluoromethyl)-2-nitropyridine-3-sulfonamide
CID 119011354

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine?
The IUPAC name of 5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine (CID 130101818) is 5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine.
What is the SMILES notation for 5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine?
The canonical SMILES for 5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine is Nc1cc(C(F)F)c(Br)c([N+](=O)[O-])n1.
What is the InChIKey of 5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine?
The InChIKey is WNHNYFUGQXRZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2N3O2/c7-4-2(5(8)9)1-3(10)11-6(4)12(13)14/h1,5H,(H2,10,11).
What are the key properties of 5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine?
5-bromo-4-(difluoromethyl)-6-nitropyridin-2-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)-6-nitropyridin-2-amine is sourced from PubChem (CID 130101818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).