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

C7H6F2N2O3 — CID 118843391

IUPAC2-(difluoromethyl)-5-methoxy-3-nitropyridine
SMILESCOc1cnc(C(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6F2N2O3/c1-14-4-2-5(11(12)13)6(7(8)9)10-3-4/h2-3,7H,1H3
InChIKeyQNACQLFFEBOLNA-UHFFFAOYSA-N
MW204.13 g/mol
LogP1.94
Rot. Bonds3

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

2-(difluoromethyl)-5-methoxy-3-nitropyridine (PubChem CID 118843391) has the molecular formula C7H6F2N2O3 and a molecular weight of 204.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-methoxy-3-nitropyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-5-methoxy-3-nitropyridine
PubChem CID118843391
Molecular FormulaC7H6F2N2O3
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name2-(difluoromethyl)-5-methoxy-3-nitropyridine
SMILESCOc1cnc(C(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6F2N2O3/c1-14-4-2-5(11(12)13)6(7(8)9)10-3-4/h2-3,7H,1H3
InChIKeyQNACQLFFEBOLNA-UHFFFAOYSA-N
XLogP1.94
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 51.94
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

ethyl 6-(difluoromethyl)-5-nitropyridine-3-carboxylate
CID 134672171
2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine
CID 119020021
5-methoxy-2-nitropyridin-3-amine
CID 91619049
methyl 2-(difluoromethyl)-4-methoxy-5-nitropyridine-3-carboxylate
CID 133099332
methyl 2-[5-(difluoromethyl)-4-nitro-2-pyridinyl]acetate
CID 134673326
[6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]methanamine
CID 133100302
2-(difluoromethyl)-3-methoxy-5-methyl-4-nitropyridine
CID 118814781
(5-nitro-6-propan-2-yl-3-pyridinyl) formate
CID 129062075
2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine
CID 118837551
methyl 6-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylate
CID 133098599
2-[6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]acetic acid
CID 118803866
[6-(difluoromethyl)-5-methoxy-4-nitro-2-pyridinyl]methanol
CID 118803393

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-methoxy-3-nitropyridine?
The IUPAC name of 2-(difluoromethyl)-5-methoxy-3-nitropyridine (CID 118843391) is 2-(difluoromethyl)-5-methoxy-3-nitropyridine.
What is the SMILES notation for 2-(difluoromethyl)-5-methoxy-3-nitropyridine?
The canonical SMILES for 2-(difluoromethyl)-5-methoxy-3-nitropyridine is COc1cnc(C(F)F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(difluoromethyl)-5-methoxy-3-nitropyridine?
The InChIKey is QNACQLFFEBOLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3/c1-14-4-2-5(11(12)13)6(7(8)9)10-3-4/h2-3,7H,1H3.
What are the key properties of 2-(difluoromethyl)-5-methoxy-3-nitropyridine?
2-(difluoromethyl)-5-methoxy-3-nitropyridine has a molecular weight of 204.13 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-methoxy-3-nitropyridine is sourced from PubChem (CID 118843391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).