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

C7H6F2N2O2 — CID 118831929

IUPAC2-(difluoromethyl)-6-methyl-4-nitropyridine
SMILESCc1cc([N+](=O)[O-])cc(C(F)F)n1
InChIInChI=1S/C7H6F2N2O2/c1-4-2-5(11(12)13)3-6(10-4)7(8)9/h2-3,7H,1H3
InChIKeyPAAUDIDSJVETFZ-UHFFFAOYSA-N
MW188.13 g/mol
LogP2.24
Rot. Bonds2

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

2-(difluoromethyl)-6-methyl-4-nitropyridine (PubChem CID 118831929) has the molecular formula C7H6F2N2O2 and a molecular weight of 188.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-methyl-4-nitropyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-6-methyl-4-nitropyridine
PubChem CID118831929
Molecular FormulaC7H6F2N2O2
Molecular Weight188.13 g/mol
Exact Mass188.04
IUPAC Name2-(difluoromethyl)-6-methyl-4-nitropyridine
SMILESCc1cc([N+](=O)[O-])cc(C(F)F)n1
InChIInChI=1S/C7H6F2N2O2/c1-4-2-5(11(12)13)3-6(10-4)7(8)9/h2-3,7H,1H3
InChIKeyPAAUDIDSJVETFZ-UHFFFAOYSA-N
XLogP2.24
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
4-deuterio-2,6-dimethylpyridine;2,6-dimethyl-4-nitropyridine
CID 158502197
2-(difluoromethyl)-6-methylpyridin-4-amine
CID 118295521
3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine
CID 130088256
6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde
CID 130088296
2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
CID 118854402
6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbonitrile
CID 133107766
methyl 6-methyl-4-nitropyridine-2-carboxylate
CID 55277247
2-(difluoromethyl)-4-methoxy-6-nitropyridine
CID 118803609
2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine
CID 118994549
4-nitro-6-propan-2-ylpyridin-2-amine
CID 21495074
3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide
CID 133098937

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-methyl-4-nitropyridine?
The IUPAC name of 2-(difluoromethyl)-6-methyl-4-nitropyridine (CID 118831929) is 2-(difluoromethyl)-6-methyl-4-nitropyridine.
What is the SMILES notation for 2-(difluoromethyl)-6-methyl-4-nitropyridine?
The canonical SMILES for 2-(difluoromethyl)-6-methyl-4-nitropyridine is Cc1cc([N+](=O)[O-])cc(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-6-methyl-4-nitropyridine?
The InChIKey is PAAUDIDSJVETFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2/c1-4-2-5(11(12)13)3-6(10-4)7(8)9/h2-3,7H,1H3.
What are the key properties of 2-(difluoromethyl)-6-methyl-4-nitropyridine?
2-(difluoromethyl)-6-methyl-4-nitropyridine has a molecular weight of 188.13 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-methyl-4-nitropyridine is sourced from PubChem (CID 118831929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).