[2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol

C7H7F2N3O3 — CID 119006327

IUPAC[2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
SMILESNc1nc(C(F)F)cc([N+](=O)[O-])c1CO
InChIInChI=1S/C7H7F2N3O3/c8-6(9)4-1-5(12(14)15)3(2-13)7(10)11-4/h1,6,13H,2H2,(H2,10,11)
InChIKeyXEEVAOKYYXNMRW-UHFFFAOYSA-N
MW219.15 g/mol
LogP1.00
Rot. Bonds3

About [2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol

[2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol (PubChem CID 119006327) has the molecular formula C7H7F2N3O3 and a molecular weight of 219.15 g/mol. Its IUPAC name is [2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
PubChem CID119006327
Molecular FormulaC7H7F2N3O3
Molecular Weight219.15 g/mol
Exact Mass219.05
IUPAC Name[2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
SMILESNc1nc(C(F)F)cc([N+](=O)[O-])c1CO
InChIInChI=1S/C7H7F2N3O3/c8-6(9)4-1-5(12(14)15)3(2-13)7(10)11-4/h1,6,13H,2H2,(H2,10,11)
InChIKeyXEEVAOKYYXNMRW-UHFFFAOYSA-N
XLogP1.00
TPSA102.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.15
LogP ≤ 51.00
H-Bond Donors ≤ 52
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

6-(difluoromethyl)-3-(hydroxymethyl)-4-nitropyridine-2-carbonitrile
CID 130078685
[2-amino-4-chloro-6-(difluoromethyl)-3-pyridinyl]methanol
CID 119002852
ethyl 2-amino-6-(difluoromethyl)-4-nitropyridine-3-carboxylate
CID 134658658
[6-bromo-2-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 130069861
[6-(difluoromethyl)-4-fluoro-3-nitro-2-pyridinyl]methanol
CID 133104599
2-[6-(difluoromethyl)-2-methoxy-4-nitro-3-pyridinyl]acetic acid
CID 133099793
3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130073075
[3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol
CID 130106938
2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol
CID 118832789
6-(difluoromethyl)-2,3-dimethyl-4-nitropyridine
CID 130101216
3-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridin-2-amine
CID 119000355
2-bromo-6-(difluoromethyl)-3-nitropyridin-4-amine
CID 118834924

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol?
The IUPAC name of [2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol (CID 119006327) is [2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol.
What is the SMILES notation for [2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol?
The canonical SMILES for [2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol is Nc1nc(C(F)F)cc([N+](=O)[O-])c1CO.
What is the InChIKey of [2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol?
The InChIKey is XEEVAOKYYXNMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O3/c8-6(9)4-1-5(12(14)15)3(2-13)7(10)11-4/h1,6,13H,2H2,(H2,10,11).
What are the key properties of [2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol?
[2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol has a molecular weight of 219.15 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(difluoromethyl)-4-nitro-3-pyridinyl]methanol is sourced from PubChem (CID 119006327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).