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

C8H8F2N2O4 — CID 133100024

IUPAC[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanol
SMILESCOc1c([N+](=O)[O-])ncc(C(F)F)c1CO
InChIInChI=1S/C8H8F2N2O4/c1-16-6-5(3-13)4(7(9)10)2-11-8(6)12(14)15/h2,7,13H,3H2,1H3
InChIKeyLYWMVMGKHJRJCD-UHFFFAOYSA-N
MW234.16 g/mol
LogP1.43
Rot. Bonds4

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

[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanol (PubChem CID 133100024) has the molecular formula C8H8F2N2O4 and a molecular weight of 234.16 g/mol. Its IUPAC name is [5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanol
PubChem CID133100024
Molecular FormulaC8H8F2N2O4
Molecular Weight234.16 g/mol
Exact Mass234.05
IUPAC Name[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanol
SMILESCOc1c([N+](=O)[O-])ncc(C(F)F)c1CO
InChIInChI=1S/C8H8F2N2O4/c1-16-6-5(3-13)4(7(9)10)2-11-8(6)12(14)15/h2,7,13H,3H2,1H3
InChIKeyLYWMVMGKHJRJCD-UHFFFAOYSA-N
XLogP1.43
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 51.43
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'}

Analyze [5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine
CID 133100289
[4-(difluoromethyl)-5-methoxy-6-nitro-3-pyridinyl]methanol
CID 118846519
[5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol
CID 133100021
5-(difluoromethyl)-3-methoxy-2-nitropyridine-4-carbaldehyde
CID 133099322
[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]methanol
CID 119022056
ethyl 2-[5-(difluoromethyl)-3-fluoro-2-nitro-4-pyridinyl]acetate
CID 133105114
ethyl 2-[5-(difluoromethyl)-4-fluoro-2-nitro-3-pyridinyl]acetate
CID 133104696
[6-(difluoromethyl)-4-methoxy-5-nitro-3-pyridinyl]methanol
CID 118809092
5-(chloromethyl)-3-(difluoromethyl)-4-methoxy-2-nitropyridine
CID 130088105
5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine
CID 130101236
[5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanol
CID 130087925
[2-chloro-5-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 119001037

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanol?
The IUPAC name of [5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanol (CID 133100024) is [5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanol.
What is the SMILES notation for [5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanol?
The canonical SMILES for [5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanol is COc1c([N+](=O)[O-])ncc(C(F)F)c1CO.
What is the InChIKey of [5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanol?
The InChIKey is LYWMVMGKHJRJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O4/c1-16-6-5(3-13)4(7(9)10)2-11-8(6)12(14)15/h2,7,13H,3H2,1H3.
What are the key properties of [5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanol?
[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanol has a molecular weight of 234.16 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanol is sourced from PubChem (CID 133100024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).