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

C8H8F2N2O3 — CID 130088275

IUPAC[3-(difluoromethyl)-4-methyl-5-nitro-2-pyridinyl]methanol
SMILESCc1c([N+](=O)[O-])cnc(CO)c1C(F)F
InChIInChI=1S/C8H8F2N2O3/c1-4-6(12(14)15)2-11-5(3-13)7(4)8(9)10/h2,8,13H,3H2,1H3
InChIKeyQJKDTBGLWQTFRC-UHFFFAOYSA-N
MW218.16 g/mol
LogP1.73
Rot. Bonds3

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

[3-(difluoromethyl)-4-methyl-5-nitro-2-pyridinyl]methanol (PubChem CID 130088275) has the molecular formula C8H8F2N2O3 and a molecular weight of 218.16 g/mol. Its IUPAC name is [3-(difluoromethyl)-4-methyl-5-nitro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)-4-methyl-5-nitro-2-pyridinyl]methanol
PubChem CID130088275
Molecular FormulaC8H8F2N2O3
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Name[3-(difluoromethyl)-4-methyl-5-nitro-2-pyridinyl]methanol
SMILESCc1c([N+](=O)[O-])cnc(CO)c1C(F)F
InChIInChI=1S/C8H8F2N2O3/c1-4-6(12(14)15)2-11-5(3-13)7(4)8(9)10/h2,8,13H,3H2,1H3
InChIKeyQJKDTBGLWQTFRC-UHFFFAOYSA-N
XLogP1.73
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [3-(difluoromethyl)-4-methyl-5-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

2-bromo-3-(difluoromethyl)-4-methyl-5-nitropyridine
CID 118998930
3-(difluoromethyl)-4-methyl-5-nitropyridine-2-carboxylic acid
CID 130088338
[5-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130069878
[5-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130074796
methyl 2-[4-chloro-3-(difluoromethyl)-5-nitro-2-pyridinyl]acetate
CID 134684486
[3-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]methanol
CID 133100033
[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130069859
[3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol
CID 130081112
3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine
CID 130069118
[4-bromo-3-(difluoromethyl)-5-nitro-2-pyridinyl]methanamine
CID 118848230
[5-(difluoromethyl)-4-methoxy-3-nitro-2-pyridinyl]methanol
CID 133100021
2-[4-(difluoromethyl)-5-nitro-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118835156

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-4-methyl-5-nitro-2-pyridinyl]methanol?
The IUPAC name of [3-(difluoromethyl)-4-methyl-5-nitro-2-pyridinyl]methanol (CID 130088275) is [3-(difluoromethyl)-4-methyl-5-nitro-2-pyridinyl]methanol.
What is the SMILES notation for [3-(difluoromethyl)-4-methyl-5-nitro-2-pyridinyl]methanol?
The canonical SMILES for [3-(difluoromethyl)-4-methyl-5-nitro-2-pyridinyl]methanol is Cc1c([N+](=O)[O-])cnc(CO)c1C(F)F.
What is the InChIKey of [3-(difluoromethyl)-4-methyl-5-nitro-2-pyridinyl]methanol?
The InChIKey is QJKDTBGLWQTFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3/c1-4-6(12(14)15)2-11-5(3-13)7(4)8(9)10/h2,8,13H,3H2,1H3.
What are the key properties of [3-(difluoromethyl)-4-methyl-5-nitro-2-pyridinyl]methanol?
[3-(difluoromethyl)-4-methyl-5-nitro-2-pyridinyl]methanol has a molecular weight of 218.16 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-4-methyl-5-nitro-2-pyridinyl]methanol is sourced from PubChem (CID 130088275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).