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

C7H3F2N3O2 — CID 118990774

IUPAC4-(difluoromethyl)-5-nitropyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)F)c([N+](=O)[O-])cn1
InChIInChI=1S/C7H3F2N3O2/c8-7(9)5-1-4(2-10)11-3-6(5)12(13)14/h1,3,7H
InChIKeyHNVOIFDPTYNGIT-UHFFFAOYSA-N
MW199.12 g/mol
LogP1.80
Rot. Bonds2

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

4-(difluoromethyl)-5-nitropyridine-2-carbonitrile (PubChem CID 118990774) has the molecular formula C7H3F2N3O2 and a molecular weight of 199.12 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-5-nitropyridine-2-carbonitrile
PubChem CID118990774
Molecular FormulaC7H3F2N3O2
Molecular Weight199.12 g/mol
Exact Mass199.02
IUPAC Name4-(difluoromethyl)-5-nitropyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)F)c([N+](=O)[O-])cn1
InChIInChI=1S/C7H3F2N3O2/c8-7(9)5-1-4(2-10)11-3-6(5)12(13)14/h1,3,7H
InChIKeyHNVOIFDPTYNGIT-UHFFFAOYSA-N
XLogP1.80
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 51.80
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'}

Analyze 4-(difluoromethyl)-5-nitropyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(difluoromethyl)-2-fluoro-5-nitropyridine
CID 130096275
2-bromo-4-(difluoromethyl)-5-nitropyridine
CID 119024108
[4-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine
CID 118814251
5-amino-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130094598
5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
CID 118805197
5-(difluoromethyl)-4-fluoropyridine-2-carbonitrile
CID 119007816
2-[6-cyano-4-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118998082
4-(difluoromethyl)-3-nitrobenzonitrile
CID 96536478
4-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107406
2-[2-(difluoromethyl)-5-nitro-4-pyridinyl]acetonitrile
CID 118803712
2-(difluoromethyl)-4-formyl-5-nitropyridine-3-carbonitrile
CID 130078736
3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
CID 130108736

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-nitropyridine-2-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-5-nitropyridine-2-carbonitrile (CID 118990774) is 4-(difluoromethyl)-5-nitropyridine-2-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-5-nitropyridine-2-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-5-nitropyridine-2-carbonitrile is N#Cc1cc(C(F)F)c([N+](=O)[O-])cn1.
What is the InChIKey of 4-(difluoromethyl)-5-nitropyridine-2-carbonitrile?
The InChIKey is HNVOIFDPTYNGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2N3O2/c8-7(9)5-1-4(2-10)11-3-6(5)12(13)14/h1,3,7H.
What are the key properties of 4-(difluoromethyl)-5-nitropyridine-2-carbonitrile?
4-(difluoromethyl)-5-nitropyridine-2-carbonitrile has a molecular weight of 199.12 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-nitropyridine-2-carbonitrile is sourced from PubChem (CID 118990774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).