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

C8H5F2N3O2 — CID 133107766

IUPAC6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbonitrile
SMILESCc1nc(C(F)F)cc([N+](=O)[O-])c1C#N
InChIInChI=1S/C8H5F2N3O2/c1-4-5(3-11)7(13(14)15)2-6(12-4)8(9)10/h2,8H,1H3
InChIKeyJLKWBVRWGQSVPN-UHFFFAOYSA-N
MW213.14 g/mol
LogP2.11
Rot. Bonds2

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

6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbonitrile (PubChem CID 133107766) has the molecular formula C8H5F2N3O2 and a molecular weight of 213.14 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbonitrile
PubChem CID133107766
Molecular FormulaC8H5F2N3O2
Molecular Weight213.14 g/mol
Exact Mass213.03
IUPAC Name6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbonitrile
SMILESCc1nc(C(F)F)cc([N+](=O)[O-])c1C#N
InChIInChI=1S/C8H5F2N3O2/c1-4-5(3-11)7(13(14)15)2-6(12-4)8(9)10/h2,8H,1H3
InChIKeyJLKWBVRWGQSVPN-UHFFFAOYSA-N
XLogP2.11
TPSA79.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 52.11
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

6-(difluoromethyl)-2,3-dimethyl-4-nitropyridine
CID 130101216
6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde
CID 130088296
2-[6-(difluoromethyl)-3-methyl-4-nitro-2-pyridinyl]acetonitrile
CID 133099364
6-(difluoromethyl)-3-(hydroxymethyl)-4-nitropyridine-2-carbonitrile
CID 130078685
2-fluoro-4-methyl-6-nitrobenzonitrile
CID 130981867
4-(difluoromethyl)-3-fluoro-2,6-dinitrobenzonitrile
CID 88847883
2,4-difluoro-6-nitrobenzonitrile
CID 119017167
5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine
CID 130080884
2-(difluoromethyl)-6-methyl-4-nitropyridine
CID 118831929
3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130073075
3-bromo-6-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130068192
6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile
CID 130078756

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbonitrile (CID 133107766) is 6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbonitrile is Cc1nc(C(F)F)cc([N+](=O)[O-])c1C#N.
What is the InChIKey of 6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbonitrile?
The InChIKey is JLKWBVRWGQSVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O2/c1-4-5(3-11)7(13(14)15)2-6(12-4)8(9)10/h2,8H,1H3.
What are the key properties of 6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbonitrile?
6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbonitrile has a molecular weight of 213.14 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbonitrile is sourced from PubChem (CID 133107766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).