2-(chloromethyl)-4-(difluoromethyl)-3-nitropyridine

C7H5ClF2N2O2 — CID 118832467

IUPAC2-(chloromethyl)-4-(difluoromethyl)-3-nitropyridine
SMILESO=[N+]([O-])c1c(C(F)F)ccnc1CCl
InChIInChI=1S/C7H5ClF2N2O2/c8-3-5-6(12(13)14)4(7(9)10)1-2-11-5/h1-2,7H,3H2
InChIKeyOSFAPSRBFLATOD-UHFFFAOYSA-N
MW222.58 g/mol
LogP2.67
Rot. Bonds3

About 2-(chloromethyl)-4-(difluoromethyl)-3-nitropyridine

2-(chloromethyl)-4-(difluoromethyl)-3-nitropyridine (PubChem CID 118832467) has the molecular formula C7H5ClF2N2O2 and a molecular weight of 222.58 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(difluoromethyl)-3-nitropyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(difluoromethyl)-3-nitropyridine
PubChem CID118832467
Molecular FormulaC7H5ClF2N2O2
Molecular Weight222.58 g/mol
Exact Mass222.00
IUPAC Name2-(chloromethyl)-4-(difluoromethyl)-3-nitropyridine
SMILESO=[N+]([O-])c1c(C(F)F)ccnc1CCl
InChIInChI=1S/C7H5ClF2N2O2/c8-3-5-6(12(13)14)4(7(9)10)1-2-11-5/h1-2,7H,3H2
InChIKeyOSFAPSRBFLATOD-UHFFFAOYSA-N
XLogP2.67
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.58
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-nitropyridine
CID 118827149
[6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol
CID 130074775
methyl 2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate
CID 134683469
4-(difluoromethyl)-3-iodo-2-nitropyridine
CID 118807047
[4-(difluoromethyl)-2-nitro-3-pyridinyl]methanamine
CID 130097864
2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119007926
3-chloro-2-(chloromethyl)-5-(difluoromethyl)-6-nitropyridine
CID 130074727
2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119020031
2-(chloromethyl)-3-(difluoromethyl)-5-iodo-6-nitropyridine
CID 118826854
5-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridin-3-ol
CID 133102771
2-(aminomethyl)-5-(difluoromethyl)-4-nitropyridin-3-amine
CID 134663951
4-(difluoromethyl)-2-(fluoromethyl)pyridin-3-ol
CID 118801747

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(difluoromethyl)-3-nitropyridine?
The IUPAC name of 2-(chloromethyl)-4-(difluoromethyl)-3-nitropyridine (CID 118832467) is 2-(chloromethyl)-4-(difluoromethyl)-3-nitropyridine.
What is the SMILES notation for 2-(chloromethyl)-4-(difluoromethyl)-3-nitropyridine?
The canonical SMILES for 2-(chloromethyl)-4-(difluoromethyl)-3-nitropyridine is O=[N+]([O-])c1c(C(F)F)ccnc1CCl.
What is the InChIKey of 2-(chloromethyl)-4-(difluoromethyl)-3-nitropyridine?
The InChIKey is OSFAPSRBFLATOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O2/c8-3-5-6(12(13)14)4(7(9)10)1-2-11-5/h1-2,7H,3H2.
What are the key properties of 2-(chloromethyl)-4-(difluoromethyl)-3-nitropyridine?
2-(chloromethyl)-4-(difluoromethyl)-3-nitropyridine has a molecular weight of 222.58 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(difluoromethyl)-3-nitropyridine is sourced from PubChem (CID 118832467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).