4-(chloromethyl)-2-(difluoromethyl)-5-nitropyridine

C7H5ClF2N2O2 — CID 130097922

IUPAC4-(chloromethyl)-2-(difluoromethyl)-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(C(F)F)cc1CCl
InChIInChI=1S/C7H5ClF2N2O2/c8-2-4-1-5(7(9)10)11-3-6(4)12(13)14/h1,3,7H,2H2
InChIKeyYNUFAMQGUPLUCB-UHFFFAOYSA-N
MW222.58 g/mol
LogP2.67
Rot. Bonds3

About 4-(chloromethyl)-2-(difluoromethyl)-5-nitropyridine

4-(chloromethyl)-2-(difluoromethyl)-5-nitropyridine (PubChem CID 130097922) has the molecular formula C7H5ClF2N2O2 and a molecular weight of 222.58 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(difluoromethyl)-5-nitropyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(difluoromethyl)-5-nitropyridine
PubChem CID130097922
Molecular FormulaC7H5ClF2N2O2
Molecular Weight222.58 g/mol
Exact Mass222.00
IUPAC Name4-(chloromethyl)-2-(difluoromethyl)-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(C(F)F)cc1CCl
InChIInChI=1S/C7H5ClF2N2O2/c8-2-4-1-5(7(9)10)11-3-6(4)12(13)14/h1,3,7H,2H2
InChIKeyYNUFAMQGUPLUCB-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-[2-(difluoromethyl)-5-nitro-4-pyridinyl]acetonitrile
CID 118803712
4-bromo-2-(difluoromethyl)-5-nitropyridine
CID 118811909
4-(chloromethyl)-5-nitropyridin-2-amine
CID 19034780
2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
CID 118848721
4-(chloromethyl)-2-(difluoromethyl)-3-iodo-5-nitropyridine
CID 130086614
2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine
CID 119013891
2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine
CID 167456886
5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130081475
4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine-2-carbonitrile
CID 130078657
3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-nitropyridine
CID 130086601
2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine
CID 118838108
[4-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine
CID 118814251

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(difluoromethyl)-5-nitropyridine?
The IUPAC name of 4-(chloromethyl)-2-(difluoromethyl)-5-nitropyridine (CID 130097922) is 4-(chloromethyl)-2-(difluoromethyl)-5-nitropyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(difluoromethyl)-5-nitropyridine?
The canonical SMILES for 4-(chloromethyl)-2-(difluoromethyl)-5-nitropyridine is O=[N+]([O-])c1cnc(C(F)F)cc1CCl.
What is the InChIKey of 4-(chloromethyl)-2-(difluoromethyl)-5-nitropyridine?
The InChIKey is YNUFAMQGUPLUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O2/c8-2-4-1-5(7(9)10)11-3-6(4)12(13)14/h1,3,7H,2H2.
What are the key properties of 4-(chloromethyl)-2-(difluoromethyl)-5-nitropyridine?
4-(chloromethyl)-2-(difluoromethyl)-5-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 4-(chloromethyl)-2-(difluoromethyl)-5-nitropyridine is sourced from PubChem (CID 130097922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).