3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile

C7H2BrF2N3O2 — CID 130108736

IUPAC3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
SMILESN#Cc1c(C(F)F)cnc([N+](=O)[O-])c1Br
InChIInChI=1S/C7H2BrF2N3O2/c8-5-3(1-11)4(6(9)10)2-12-7(5)13(14)15/h2,6H
InChIKeyJUHKVCJWMJXUTN-UHFFFAOYSA-N
MW278.01 g/mol
LogP2.56
Rot. Bonds2

About 3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile

3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile (PubChem CID 130108736) has the molecular formula C7H2BrF2N3O2 and a molecular weight of 278.01 g/mol. Its IUPAC name is 3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile.

Molecular Properties

Compound Name3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
PubChem CID130108736
Molecular FormulaC7H2BrF2N3O2
Molecular Weight278.01 g/mol
Exact Mass276.93
IUPAC Name3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
SMILESN#Cc1c(C(F)F)cnc([N+](=O)[O-])c1Br
InChIInChI=1S/C7H2BrF2N3O2/c8-5-3(1-11)4(6(9)10)2-12-7(5)13(14)15/h2,6H
InChIKeyJUHKVCJWMJXUTN-UHFFFAOYSA-N
XLogP2.56
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.01
LogP ≤ 52.56
H-Bond Donors ≤ 50
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

2,3-dibromo-5-(difluoromethyl)pyridine-4-carbonitrile
CID 118833890
4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 118828181
3-bromo-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130108638
3-bromo-5-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130108704
3-bromo-5-(difluoromethyl)-2-formylpyridine-4-carbonitrile
CID 130108997
4-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxamide
CID 118822344
2-[5-bromo-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile
CID 130069833
4-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 118844275
2-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine-3-carbonitrile
CID 130078579
3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine
CID 130069120
4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 118850099
4-bromo-2-nitro-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118810479

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile?
The IUPAC name of 3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile (CID 130108736) is 3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile.
What is the SMILES notation for 3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile?
The canonical SMILES for 3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile is N#Cc1c(C(F)F)cnc([N+](=O)[O-])c1Br.
What is the InChIKey of 3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile?
The InChIKey is JUHKVCJWMJXUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF2N3O2/c8-5-3(1-11)4(6(9)10)2-12-7(5)13(14)15/h2,6H.
What are the key properties of 3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile?
3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile has a molecular weight of 278.01 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile is sourced from PubChem (CID 130108736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).