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

C7H2ClF2N3O2 — CID 130071072

IUPAC6-chloro-4-(difluoromethyl)-3-nitropyridine-2-carbonitrile
SMILESN#Cc1nc(Cl)cc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H2ClF2N3O2/c8-5-1-3(7(9)10)6(13(14)15)4(2-11)12-5/h1,7H
InChIKeyWBIQSUWUOOIEFM-UHFFFAOYSA-N
MW233.56 g/mol
LogP2.45
Rot. Bonds2

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

6-chloro-4-(difluoromethyl)-3-nitropyridine-2-carbonitrile (PubChem CID 130071072) has the molecular formula C7H2ClF2N3O2 and a molecular weight of 233.56 g/mol. Its IUPAC name is 6-chloro-4-(difluoromethyl)-3-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-(difluoromethyl)-3-nitropyridine-2-carbonitrile
PubChem CID130071072
Molecular FormulaC7H2ClF2N3O2
Molecular Weight233.56 g/mol
Exact Mass232.98
IUPAC Name6-chloro-4-(difluoromethyl)-3-nitropyridine-2-carbonitrile
SMILESN#Cc1nc(Cl)cc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C7H2ClF2N3O2/c8-5-1-3(7(9)10)6(13(14)15)4(2-11)12-5/h1,7H
InChIKeyWBIQSUWUOOIEFM-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-6-(hydroxymethyl)-3-nitropyridine-2-carbonitrile
CID 119017707
6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130070893
4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine-2-carbonitrile
CID 130078657
[6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol
CID 130074775
3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130102428
6-chloro-4-(ethylamino)-3-nitropyridine-2-carbonitrile
CID 86613869
4-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonitrile
CID 118845280
5-chloro-1-(difluoromethyl)-3-iodo-2-nitrobenzene
CID 171004954
5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
CID 118805197
2-chloro-4-(difluoromethyl)-3-nitro-6-(trifluoromethyl)pyridine
CID 118993647
2-[4-(difluoromethyl)-6-iodo-5-nitro-2-pyridinyl]acetonitrile
CID 118806601
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070918

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(difluoromethyl)-3-nitropyridine-2-carbonitrile?
The IUPAC name of 6-chloro-4-(difluoromethyl)-3-nitropyridine-2-carbonitrile (CID 130071072) is 6-chloro-4-(difluoromethyl)-3-nitropyridine-2-carbonitrile.
What is the SMILES notation for 6-chloro-4-(difluoromethyl)-3-nitropyridine-2-carbonitrile?
The canonical SMILES for 6-chloro-4-(difluoromethyl)-3-nitropyridine-2-carbonitrile is N#Cc1nc(Cl)cc(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of 6-chloro-4-(difluoromethyl)-3-nitropyridine-2-carbonitrile?
The InChIKey is WBIQSUWUOOIEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF2N3O2/c8-5-1-3(7(9)10)6(13(14)15)4(2-11)12-5/h1,7H.
What are the key properties of 6-chloro-4-(difluoromethyl)-3-nitropyridine-2-carbonitrile?
6-chloro-4-(difluoromethyl)-3-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 6-chloro-4-(difluoromethyl)-3-nitropyridine-2-carbonitrile is sourced from PubChem (CID 130071072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).