3,4-difluoro-2-methoxy-5-nitropyridine

C6H4F2N2O3 — CID 174616976

IUPAC3,4-difluoro-2-methoxy-5-nitropyridine
SMILESCOc1ncc([N+](=O)[O-])c(F)c1F
InChIInChI=1S/C6H4F2N2O3/c1-13-6-5(8)4(7)3(2-9-6)10(11)12/h2H,1H3
InChIKeySLELOAFQYIHRLE-UHFFFAOYSA-N
MW190.10 g/mol
LogP1.28
Rot. Bonds2

About 3,4-difluoro-2-methoxy-5-nitropyridine

3,4-difluoro-2-methoxy-5-nitropyridine (PubChem CID 174616976) has the molecular formula C6H4F2N2O3 and a molecular weight of 190.10 g/mol. Its IUPAC name is 3,4-difluoro-2-methoxy-5-nitropyridine.

Molecular Properties

Compound Name3,4-difluoro-2-methoxy-5-nitropyridine
PubChem CID174616976
Molecular FormulaC6H4F2N2O3
Molecular Weight190.10 g/mol
Exact Mass190.02
IUPAC Name3,4-difluoro-2-methoxy-5-nitropyridine
SMILESCOc1ncc([N+](=O)[O-])c(F)c1F
InChIInChI=1S/C6H4F2N2O3/c1-13-6-5(8)4(7)3(2-9-6)10(11)12/h2H,1H3
InChIKeySLELOAFQYIHRLE-UHFFFAOYSA-N
XLogP1.28
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.10
LogP ≤ 51.28
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

5-chloro-2-methoxy-3-nitropyridine chloride
CID 164593887
3-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine
CID 134686343
2-chloro-4-methoxy-5-nitropyrimidine
CID 3801616
3-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine
CID 133099445
6-methoxy-5-nitropyridine-3-carboxylic acid
CID 79001953
(6-methoxy-5-nitro-3-pyridinyl)hydrazine
CID 169171499
CID 88875877
CID 88875877
methyl 6-methoxy-5-nitropyridine-3-carboxylate
CID 2746880
2-[4-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]acetonitrile
CID 118823886
4-(chloromethyl)-3-methoxy-5-nitro-2-(trifluoromethoxy)pyridine
CID 134681996
2-chloro-3-fluoro-4-methyl-5-nitropyridine
CID 151225607
methoxymethane;4-methoxy-3-nitropyridine
CID 155689380

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-methoxy-5-nitropyridine?
The IUPAC name of 3,4-difluoro-2-methoxy-5-nitropyridine (CID 174616976) is 3,4-difluoro-2-methoxy-5-nitropyridine.
What is the SMILES notation for 3,4-difluoro-2-methoxy-5-nitropyridine?
The canonical SMILES for 3,4-difluoro-2-methoxy-5-nitropyridine is COc1ncc([N+](=O)[O-])c(F)c1F.
What is the InChIKey of 3,4-difluoro-2-methoxy-5-nitropyridine?
The InChIKey is SLELOAFQYIHRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N2O3/c1-13-6-5(8)4(7)3(2-9-6)10(11)12/h2H,1H3.
What are the key properties of 3,4-difluoro-2-methoxy-5-nitropyridine?
3,4-difluoro-2-methoxy-5-nitropyridine has a molecular weight of 190.10 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-methoxy-5-nitropyridine is sourced from PubChem (CID 174616976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).