[3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol

C7H7F2N3O3 — CID 130106938

IUPAC[3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol
SMILESNc1c(C(F)F)ncc([N+](=O)[O-])c1CO
InChIInChI=1S/C7H7F2N3O3/c8-7(9)6-5(10)3(2-13)4(1-11-6)12(14)15/h1,7,13H,2,10H2
InChIKeyHLZSNMNQOHXOPA-UHFFFAOYSA-N
MW219.15 g/mol
LogP1.00
Rot. Bonds3

About [3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol

[3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol (PubChem CID 130106938) has the molecular formula C7H7F2N3O3 and a molecular weight of 219.15 g/mol. Its IUPAC name is [3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol
PubChem CID130106938
Molecular FormulaC7H7F2N3O3
Molecular Weight219.15 g/mol
Exact Mass219.05
IUPAC Name[3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol
SMILESNc1c(C(F)F)ncc([N+](=O)[O-])c1CO
InChIInChI=1S/C7H7F2N3O3/c8-7(9)6-5(10)3(2-13)4(1-11-6)12(14)15/h1,7,13H,2,10H2
InChIKeyHLZSNMNQOHXOPA-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

2-(difluoromethyl)-5-nitro-4-(trifluoromethyl)pyridin-3-amine
CID 134668880
3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine
CID 130106839
[5-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]methanol
CID 130106954
3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
CID 134663914
4-(chloromethyl)-2-(difluoromethyl)-3-iodo-5-nitropyridine
CID 130086614
2-(difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridin-4-amine
CID 118850927
[6-(difluoromethyl)-4-fluoro-5-nitro-3-pyridinyl]methanol
CID 133104596
methyl 4-amino-2-(difluoromethyl)-5-nitropyridine-3-carboxylate
CID 134664428
[4,5-diamino-2-(difluoromethyl)-3-pyridinyl]methanol
CID 118818389
methyl 2-[3-chloro-2-(difluoromethyl)-5-nitro-4-pyridinyl]acetate
CID 134674401
2-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-4-carboxamide
CID 118854512
[6-bromo-2-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 130069861

Frequently Asked Questions

What is the IUPAC name of [3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol?
The IUPAC name of [3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol (CID 130106938) is [3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol.
What is the SMILES notation for [3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol?
The canonical SMILES for [3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol is Nc1c(C(F)F)ncc([N+](=O)[O-])c1CO.
What is the InChIKey of [3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol?
The InChIKey is HLZSNMNQOHXOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O3/c8-7(9)6-5(10)3(2-13)4(1-11-6)12(14)15/h1,7,13H,2,10H2.
What are the key properties of [3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol?
[3-amino-2-(difluoromethyl)-5-nitro-4-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 [3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol is sourced from PubChem (CID 130106938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).