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

C7H7F2N3O3 — CID 130106954

IUPAC[5-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]methanol
SMILESNc1cnc(C(F)F)c([N+](=O)[O-])c1CO
InChIInChI=1S/C7H7F2N3O3/c8-7(9)5-6(12(14)15)3(2-13)4(10)1-11-5/h1,7,13H,2,10H2
InChIKeyIJXQZVVCDLYUPN-UHFFFAOYSA-N
MW219.15 g/mol
LogP1.00
Rot. Bonds3

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

[5-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]methanol (PubChem CID 130106954) has the molecular formula C7H7F2N3O3 and a molecular weight of 219.15 g/mol. Its IUPAC name is [5-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]methanol
PubChem CID130106954
Molecular FormulaC7H7F2N3O3
Molecular Weight219.15 g/mol
Exact Mass219.05
IUPAC Name[5-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]methanol
SMILESNc1cnc(C(F)F)c([N+](=O)[O-])c1CO
InChIInChI=1S/C7H7F2N3O3/c8-7(9)5-6(12(14)15)3(2-13)4(10)1-11-5/h1,7,13H,2,10H2
InChIKeyIJXQZVVCDLYUPN-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)-4-fluoro-5-nitro-3-pyridinyl]methanol
CID 133104596
[3-amino-2-(difluoromethyl)-5-nitro-4-pyridinyl]methanol
CID 130106938
[4,5-diamino-2-(difluoromethyl)-3-pyridinyl]methanol
CID 118818389
[6-(difluoromethyl)-4-methoxy-5-nitro-3-pyridinyl]methanol
CID 118809092
[2-chloro-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 119001037
2-[2-(difluoromethyl)-5-methoxy-3-nitro-4-pyridinyl]acetic acid
CID 133099309
3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridin-4-amine
CID 130106839
ethyl 2-[5-cyano-2-(difluoromethyl)-3-nitro-4-pyridinyl]acetate
CID 133107397
2-[5-bromo-6-(difluoromethyl)-4-nitro-3-pyridinyl]acetonitrile
CID 130069827
[5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 130106958
2-[2-(difluoromethyl)-5-methoxy-3-nitro-4-pyridinyl]acetonitrile
CID 118843223
4-chloro-6-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 118800128

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]methanol?
The IUPAC name of [5-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]methanol (CID 130106954) is [5-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]methanol.
What is the SMILES notation for [5-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]methanol?
The canonical SMILES for [5-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]methanol is Nc1cnc(C(F)F)c([N+](=O)[O-])c1CO.
What is the InChIKey of [5-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]methanol?
The InChIKey is IJXQZVVCDLYUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O3/c8-7(9)5-6(12(14)15)3(2-13)4(10)1-11-5/h1,7,13H,2,10H2.
What are the key properties of [5-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]methanol?
[5-amino-2-(difluoromethyl)-3-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 [5-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]methanol is sourced from PubChem (CID 130106954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).