4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile

C7H2ClF2N3O2 — CID 118845280

IUPAC4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile
SMILESN#Cc1nc([N+](=O)[O-])cc(Cl)c1C(F)F
InChIInChI=1S/C7H2ClF2N3O2/c8-3-1-5(13(14)15)12-4(2-11)6(3)7(9)10/h1,7H
InChIKeyXSRAQAMTVWNYQT-UHFFFAOYSA-N
MW233.56 g/mol
LogP2.45
Rot. Bonds2

About 4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile

4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile (PubChem CID 118845280) has the molecular formula C7H2ClF2N3O2 and a molecular weight of 233.56 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile
PubChem CID118845280
Molecular FormulaC7H2ClF2N3O2
Molecular Weight233.56 g/mol
Exact Mass232.98
IUPAC Name4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile
SMILESN#Cc1nc([N+](=O)[O-])cc(Cl)c1C(F)F
InChIInChI=1S/C7H2ClF2N3O2/c8-3-1-5(13(14)15)12-4(2-11)6(3)7(9)10/h1,7H
InChIKeyXSRAQAMTVWNYQT-UHFFFAOYSA-N
XLogP2.45
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.56
LogP ≤ 52.45
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

4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 118845275
2-[4-chloro-2-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile
CID 118817087
4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130102612
2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine
CID 118851730
6-chloro-4-(difluoromethyl)-3-nitropyridine-2-carbonitrile
CID 130071072
2-[4-cyano-3-(difluoromethyl)-6-nitro-2-pyridinyl]acetic acid
CID 133106698
2-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118997619
3-(difluoromethyl)-4-iodo-6-nitropyridin-2-amine
CID 119018326
3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile
CID 134686625
ethyl 2-[2-cyano-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate
CID 134671082
4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine-2-carbonitrile
CID 130078657
2-(chloromethyl)-3-(difluoromethyl)-4-fluoro-6-nitropyridine
CID 118804420

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile?
The IUPAC name of 4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile (CID 118845280) is 4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile.
What is the SMILES notation for 4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile?
The canonical SMILES for 4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile is N#Cc1nc([N+](=O)[O-])cc(Cl)c1C(F)F.
What is the InChIKey of 4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile?
The InChIKey is XSRAQAMTVWNYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF2N3O2/c8-3-1-5(13(14)15)12-4(2-11)6(3)7(9)10/h1,7H.
What are the key properties of 4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile?
4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile has a molecular weight of 233.56 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile is sourced from PubChem (CID 118845280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).