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

C7H5ClF2N2O3 — CID 134686343

IUPAC3-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine
SMILESCOc1ncc([N+](=O)[O-])c(C(F)F)c1Cl
InChIInChI=1S/C7H5ClF2N2O3/c1-15-7-5(8)4(6(9)10)3(2-11-7)12(13)14/h2,6H,1H3
InChIKeyXKRDCEOHZZLVOK-UHFFFAOYSA-N
MW238.58 g/mol
LogP2.59
Rot. Bonds3

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

3-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine (PubChem CID 134686343) has the molecular formula C7H5ClF2N2O3 and a molecular weight of 238.58 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine.

Molecular Properties

Compound Name3-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine
PubChem CID134686343
Molecular FormulaC7H5ClF2N2O3
Molecular Weight238.58 g/mol
Exact Mass238.00
IUPAC Name3-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine
SMILESCOc1ncc([N+](=O)[O-])c(C(F)F)c1Cl
InChIInChI=1S/C7H5ClF2N2O3/c1-15-7-5(8)4(6(9)10)3(2-11-7)12(13)14/h2,6H,1H3
InChIKeyXKRDCEOHZZLVOK-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'}

Analyze 3-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine
CID 133099445
2-[4-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]acetonitrile
CID 118823886
3,5-dichloro-4-(difluoromethyl)-2-methoxypyridine
CID 130099252
3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine
CID 130073666
3-chloro-4-(difluoromethyl)-5-fluoro-2-methoxypyridine
CID 130071589
4-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylic acid
CID 118806375
5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine
CID 130105870
3,4-difluoro-2-methoxy-5-nitropyridine
CID 174616976
2-chloro-4-methoxy-5-nitropyrimidine
CID 3801616
methyl 2-[4-chloro-3-(difluoromethyl)-5-nitro-2-pyridinyl]acetate
CID 134684486
5-chloro-2-methoxy-3-nitropyridine chloride
CID 164593887
methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134663537

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine?
The IUPAC name of 3-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine (CID 134686343) is 3-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine.
What is the SMILES notation for 3-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine?
The canonical SMILES for 3-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine is COc1ncc([N+](=O)[O-])c(C(F)F)c1Cl.
What is the InChIKey of 3-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine?
The InChIKey is XKRDCEOHZZLVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O3/c1-15-7-5(8)4(6(9)10)3(2-11-7)12(13)14/h2,6H,1H3.
What are the key properties of 3-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine?
3-chloro-4-(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 3-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine is sourced from PubChem (CID 134686343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).