4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine

C7H5ClF2N2O3 — CID 118811329

IUPAC4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine
SMILESCOc1cc(Cl)c(C(F)F)c([N+](=O)[O-])n1
InChIInChI=1S/C7H5ClF2N2O3/c1-15-4-2-3(8)5(6(9)10)7(11-4)12(13)14/h2,6H,1H3
InChIKeyGSZKSKYYRWOSGE-UHFFFAOYSA-N
MW238.58 g/mol
LogP2.59
Rot. Bonds3

About 4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine

4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine (PubChem CID 118811329) has the molecular formula C7H5ClF2N2O3 and a molecular weight of 238.58 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine.

Molecular Properties

Compound Name4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine
PubChem CID118811329
Molecular FormulaC7H5ClF2N2O3
Molecular Weight238.58 g/mol
Exact Mass238.00
IUPAC Name4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine
SMILESCOc1cc(Cl)c(C(F)F)c([N+](=O)[O-])n1
InChIInChI=1S/C7H5ClF2N2O3/c1-15-4-2-3(8)5(6(9)10)7(11-4)12(13)14/h2,6H,1H3
InChIKeyGSZKSKYYRWOSGE-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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Related Compounds

3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine
CID 133105790
3-(difluoromethyl)-6-methoxy-2-nitropyridin-4-amine
CID 118840608
3-(difluoromethyl)-6-methoxy-2-nitro-4-(trifluoromethoxy)pyridine
CID 134660667
[3-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]methanol
CID 133100033
6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130073042
methyl 3-(difluoromethyl)-6-methoxy-4-nitropyridine-2-carboxylate
CID 133099851
6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130109415
5-(difluoromethyl)-4-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104632
2-[5-(difluoromethyl)-4-methoxy-6-nitro-2-pyridinyl]acetonitrile
CID 133099347
5-(chloromethyl)-3-(difluoromethyl)-4-methoxy-2-nitropyridine
CID 130088105
3-(difluoromethyl)-4,6-difluoro-2-nitropyridine
CID 118800101
4-chloro-2-(difluoromethyl)-3,6-dimethoxypyridine
CID 118811368

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine?
The IUPAC name of 4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine (CID 118811329) is 4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine.
What is the SMILES notation for 4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine?
The canonical SMILES for 4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine is COc1cc(Cl)c(C(F)F)c([N+](=O)[O-])n1.
What is the InChIKey of 4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine?
The InChIKey is GSZKSKYYRWOSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O3/c1-15-4-2-3(8)5(6(9)10)7(11-4)12(13)14/h2,6H,1H3.
What are the key properties of 4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine?
4-chloro-3-(difluoromethyl)-6-methoxy-2-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)-6-methoxy-2-nitropyridine is sourced from PubChem (CID 118811329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).