4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine

C7H7F2N3O3 — CID 130105846

IUPAC4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine
SMILESCOc1c(C(F)F)cc(N)nc1[N+](=O)[O-]
InChIInChI=1S/C7H7F2N3O3/c1-15-5-3(6(8)9)2-4(10)11-7(5)12(13)14/h2,6H,1H3,(H2,10,11)
InChIKeyOXQCYPXRVJENEZ-UHFFFAOYSA-N
MW219.15 g/mol
LogP1.52
Rot. Bonds3

About 4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine

4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine (PubChem CID 130105846) has the molecular formula C7H7F2N3O3 and a molecular weight of 219.15 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine
PubChem CID130105846
Molecular FormulaC7H7F2N3O3
Molecular Weight219.15 g/mol
Exact Mass219.05
IUPAC Name4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine
SMILESCOc1c(C(F)F)cc(N)nc1[N+](=O)[O-]
InChIInChI=1S/C7H7F2N3O3/c1-15-5-3(6(8)9)2-4(10)11-7(5)12(13)14/h2,6H,1H3,(H2,10,11)
InChIKeyOXQCYPXRVJENEZ-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)-5-fluoro-6-nitropyridin-2-amine
CID 130103945
5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 130101818
4-(difluoromethyl)-2-fluoro-3-methoxy-6-nitropyridine
CID 118813047
4-(difluoromethyl)-3-methoxy-6-nitropyridine-2-carbaldehyde
CID 118817249
6-(difluoromethyl)-3-methoxy-2-nitro-4-(trifluoromethyl)pyridine
CID 133099440
[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine
CID 133100289
2-(difluoromethyl)-5-methoxy-6-nitropyridine-3-carboxylic acid
CID 118826363
3-(difluoromethyl)-6-methoxy-2-nitropyridin-4-amine
CID 118840608
4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine
CID 118829479
[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanol
CID 133100024
5-(difluoromethyl)-3-methoxy-2-nitropyridine-4-carbaldehyde
CID 133099322
ethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 134683798

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine?
The IUPAC name of 4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine (CID 130105846) is 4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine is COc1c(C(F)F)cc(N)nc1[N+](=O)[O-].
What is the InChIKey of 4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine?
The InChIKey is OXQCYPXRVJENEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O3/c1-15-5-3(6(8)9)2-4(10)11-7(5)12(13)14/h2,6H,1H3,(H2,10,11).
What are the key properties of 4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine?
4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-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 4-(difluoromethyl)-5-methoxy-6-nitropyridin-2-amine is sourced from PubChem (CID 130105846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).