5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine

C7H7F2N3O3 — CID 130105870

IUPAC5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine
SMILESCOc1ncc(N)c([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C7H7F2N3O3/c1-15-7-4(6(8)9)5(12(13)14)3(10)2-11-7/h2,6H,10H2,1H3
InChIKeyDSLJBIOTJKYOOH-UHFFFAOYSA-N
MW219.15 g/mol
LogP1.52
Rot. Bonds3

About 5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine

5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine (PubChem CID 130105870) has the molecular formula C7H7F2N3O3 and a molecular weight of 219.15 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine
PubChem CID130105870
Molecular FormulaC7H7F2N3O3
Molecular Weight219.15 g/mol
Exact Mass219.05
IUPAC Name5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine
SMILESCOc1ncc(N)c([N+](=O)[O-])c1C(F)F
InChIInChI=1S/C7H7F2N3O3/c1-15-7-4(6(8)9)5(12(13)14)3(10)2-11-7/h2,6H,10H2,1H3
InChIKeyDSLJBIOTJKYOOH-UHFFFAOYSA-N
XLogP1.52
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine
CID 130106268
3-(difluoromethyl)-2-methoxy-5-nitro-4-(trifluoromethyl)pyridine
CID 133099445
ethyl 4-(difluoromethyl)-6-methoxy-5-nitropyridine-3-carboxylate
CID 133099296
6-bromo-4-(difluoromethyl)-5-nitropyridin-3-amine
CID 130101844
4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)pyridin-3-amine
CID 130106020
3-chloro-4-(difluoromethyl)-2-methoxy-5-nitropyridine
CID 134686343
3-(difluoromethyl)-2,5-dimethoxypyridin-4-amine
CID 130100785
5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
CID 134669706
3-(difluoromethyl)-6-methoxy-2-nitropyridin-4-amine
CID 118840608
4-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
CID 118817700
2-[4-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]acetonitrile
CID 118823886
4-(difluoromethyl)-5-methoxy-3-nitropyridine-2-carbonitrile
CID 134672422

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine?
The IUPAC name of 5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine (CID 130105870) is 5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine.
What is the SMILES notation for 5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine?
The canonical SMILES for 5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine is COc1ncc(N)c([N+](=O)[O-])c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine?
The InChIKey is DSLJBIOTJKYOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O3/c1-15-7-4(6(8)9)5(12(13)14)3(10)2-11-7/h2,6H,10H2,1H3.
What are the key properties of 5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine?
5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine has a molecular weight of 219.15 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-methoxy-4-nitropyridin-3-amine is sourced from PubChem (CID 130105870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).