4-chloro-3-(difluoromethyl)-2-methoxy-5-nitropyridine

C7H5ClF2N2O3 — CID 118800255

IUPAC4-chloro-3-(difluoromethyl)-2-methoxy-5-nitropyridine
SMILESCOc1ncc([N+](=O)[O-])c(Cl)c1C(F)F
InChIInChI=1S/C7H5ClF2N2O3/c1-15-7-4(6(9)10)5(8)3(2-11-7)12(13)14/h2,6H,1H3
InChIKeyUSGVQZJLQMJNKB-UHFFFAOYSA-N
MW238.58 g/mol
LogP2.59
Rot. Bonds3

About 4-chloro-3-(difluoromethyl)-2-methoxy-5-nitropyridine

4-chloro-3-(difluoromethyl)-2-methoxy-5-nitropyridine (PubChem CID 118800255) has the molecular formula C7H5ClF2N2O3 and a molecular weight of 238.58 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethyl)-2-methoxy-5-nitropyridine.

Molecular Properties

Compound Name4-chloro-3-(difluoromethyl)-2-methoxy-5-nitropyridine
PubChem CID118800255
Molecular FormulaC7H5ClF2N2O3
Molecular Weight238.58 g/mol
Exact Mass238.00
IUPAC Name4-chloro-3-(difluoromethyl)-2-methoxy-5-nitropyridine
SMILESCOc1ncc([N+](=O)[O-])c(Cl)c1C(F)F
InChIInChI=1S/C7H5ClF2N2O3/c1-15-7-4(6(9)10)5(8)3(2-11-7)12(13)14/h2,6H,1H3
InChIKeyUSGVQZJLQMJNKB-UHFFFAOYSA-N
XLogP2.59
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.58
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethyl)-2-methoxy-5-nitropyridine?
The IUPAC name of 4-chloro-3-(difluoromethyl)-2-methoxy-5-nitropyridine (CID 118800255) is 4-chloro-3-(difluoromethyl)-2-methoxy-5-nitropyridine.
What is the SMILES notation for 4-chloro-3-(difluoromethyl)-2-methoxy-5-nitropyridine?
The canonical SMILES for 4-chloro-3-(difluoromethyl)-2-methoxy-5-nitropyridine is COc1ncc([N+](=O)[O-])c(Cl)c1C(F)F.
What is the InChIKey of 4-chloro-3-(difluoromethyl)-2-methoxy-5-nitropyridine?
The InChIKey is USGVQZJLQMJNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O3/c1-15-7-4(6(9)10)5(8)3(2-11-7)12(13)14/h2,6H,1H3.
What are the key properties of 4-chloro-3-(difluoromethyl)-2-methoxy-5-nitropyridine?
4-chloro-3-(difluoromethyl)-2-methoxy-5-nitropyridine has a molecular weight of 238.58 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(difluoromethyl)-2-methoxy-5-nitropyridine is sourced from PubChem (CID 118800255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).