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

C6H4BrF2N3O2 — CID 130101830

IUPAC4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine
SMILESNc1c(Br)cc([N+](=O)[O-])nc1C(F)F
InChIInChI=1S/C6H4BrF2N3O2/c7-2-1-3(12(13)14)11-5(4(2)10)6(8)9/h1,6H,10H2
InChIKeyXZXUGWQJGAQTAZ-UHFFFAOYSA-N
MW268.02 g/mol
LogP2.27
Rot. Bonds2

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

4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine (PubChem CID 130101830) has the molecular formula C6H4BrF2N3O2 and a molecular weight of 268.02 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine.

Molecular Properties

Compound Name4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine
PubChem CID130101830
Molecular FormulaC6H4BrF2N3O2
Molecular Weight268.02 g/mol
Exact Mass266.95
IUPAC Name4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine
SMILESNc1c(Br)cc([N+](=O)[O-])nc1C(F)F
InChIInChI=1S/C6H4BrF2N3O2/c7-2-1-3(12(13)14)11-5(4(2)10)6(8)9/h1,6H,10H2
InChIKeyXZXUGWQJGAQTAZ-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

2-(difluoromethyl)-4-fluoro-6-nitropyridin-3-amine
CID 130103953
4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130102612
2-[4-bromo-2-(difluoromethyl)-6-nitro-3-pyridinyl]acetic acid
CID 118806238
3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine
CID 130110794
4-(difluoromethyl)-2-methyl-6-nitropyridin-3-amine
CID 130106264
2-(difluoromethyl)-3,4-diiodo-6-nitropyridine
CID 118842792
[2-(difluoromethyl)-3-fluoro-6-nitro-4-pyridinyl]methanamine
CID 130081370
4-bromo-3-(difluoromethyl)-6-nitropyridine-2-carbaldehyde
CID 118851470
2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol
CID 118826123
2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid
CID 118820433
6-bromo-2-(difluoromethyl)-4-methyl-3-nitropyridine
CID 130069110
5-amino-4-bromo-6-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130102315

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine?
The IUPAC name of 4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine (CID 130101830) is 4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine.
What is the SMILES notation for 4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine?
The canonical SMILES for 4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine is Nc1c(Br)cc([N+](=O)[O-])nc1C(F)F.
What is the InChIKey of 4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine?
The InChIKey is XZXUGWQJGAQTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2N3O2/c7-2-1-3(12(13)14)11-5(4(2)10)6(8)9/h1,6H,10H2.
What are the key properties of 4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine?
4-bromo-2-(difluoromethyl)-6-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 4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine is sourced from PubChem (CID 130101830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).