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

C8H8F2N2O4 — CID 133100033

IUPAC[3-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]methanol
SMILESCOc1cc([N+](=O)[O-])c(C(F)F)c(CO)n1
InChIInChI=1S/C8H8F2N2O4/c1-16-6-2-5(12(14)15)7(8(9)10)4(3-13)11-6/h2,8,13H,3H2,1H3
InChIKeyRSJMMIWNRWQYET-UHFFFAOYSA-N
MW234.16 g/mol
LogP1.43
Rot. Bonds4

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

[3-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]methanol (PubChem CID 133100033) has the molecular formula C8H8F2N2O4 and a molecular weight of 234.16 g/mol. Its IUPAC name is [3-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]methanol
PubChem CID133100033
Molecular FormulaC8H8F2N2O4
Molecular Weight234.16 g/mol
Exact Mass234.05
IUPAC Name[3-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]methanol
SMILESCOc1cc([N+](=O)[O-])c(C(F)F)c(CO)n1
InChIInChI=1S/C8H8F2N2O4/c1-16-6-2-5(12(14)15)7(8(9)10)4(3-13)11-6/h2,8,13H,3H2,1H3
InChIKeyRSJMMIWNRWQYET-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 [3-(difluoromethyl)-6-methoxy-4-nitro-2-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

[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130069859
methyl 3-(difluoromethyl)-6-methoxy-4-nitropyridine-2-carboxylate
CID 133099851
4-chloro-3-(difluoromethyl)-6-methoxy-2-nitropyridine
CID 118811329
3-(difluoromethyl)-4-fluoro-6-methoxy-2-nitropyridine
CID 133105790
[2-(difluoromethyl)-6-methoxy-5-nitro-3-pyridinyl]methanol
CID 118832128
3-(difluoromethyl)-6-methoxy-2-nitropyridin-4-amine
CID 118840608
[3-(difluoromethyl)-4-methyl-5-nitro-2-pyridinyl]methanol
CID 130088275
2-[5-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]acetic acid
CID 133098992
2-[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]acetic acid
CID 134674036
[6-(difluoromethyl)-5-methoxy-4-nitro-2-pyridinyl]methanol
CID 118803393
6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine
CID 130074723
2-(chloromethyl)-6-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
CID 118832466

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]methanol?
The IUPAC name of [3-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]methanol (CID 133100033) is [3-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]methanol.
What is the SMILES notation for [3-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]methanol?
The canonical SMILES for [3-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]methanol is COc1cc([N+](=O)[O-])c(C(F)F)c(CO)n1.
What is the InChIKey of [3-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]methanol?
The InChIKey is RSJMMIWNRWQYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O4/c1-16-6-2-5(12(14)15)7(8(9)10)4(3-13)11-6/h2,8,13H,3H2,1H3.
What are the key properties of [3-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]methanol?
[3-(difluoromethyl)-6-methoxy-4-nitro-2-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 [3-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]methanol is sourced from PubChem (CID 133100033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).