(2-fluoro-3-pyridinyl)-(2-nitrophenyl)methanol

C12H9FN2O3 — CID 12711118

IUPAC(2-fluoro-3-pyridinyl)-(2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccccc1C(O)c1cccnc1F
InChIInChI=1S/C12H9FN2O3/c13-12-9(5-3-7-14-12)11(16)8-4-1-2-6-10(8)15(17)18/h1-7,11,16H
InChIKeyVVILYUQJRFNRBZ-UHFFFAOYSA-N
MW248.21 g/mol
LogP2.21
Rot. Bonds3

About (2-fluoro-3-pyridinyl)-(2-nitrophenyl)methanol

(2-fluoro-3-pyridinyl)-(2-nitrophenyl)methanol (PubChem CID 12711118) has the molecular formula C12H9FN2O3 and a molecular weight of 248.21 g/mol. Its IUPAC name is (2-fluoro-3-pyridinyl)-(2-nitrophenyl)methanol.

Molecular Properties

Compound Name(2-fluoro-3-pyridinyl)-(2-nitrophenyl)methanol
PubChem CID12711118
Molecular FormulaC12H9FN2O3
Molecular Weight248.21 g/mol
Exact Mass248.06
IUPAC Name(2-fluoro-3-pyridinyl)-(2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccccc1C(O)c1cccnc1F
InChIInChI=1S/C12H9FN2O3/c13-12-9(5-3-7-14-12)11(16)8-4-1-2-6-10(8)15(17)18/h1-7,11,16H
InChIKeyVVILYUQJRFNRBZ-UHFFFAOYSA-N
XLogP2.21
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2-fluoro-3-pyridinyl)-(2-nitrophenyl)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

(R)-(2-nitrophenyl)-pyridin-2-ylmethanol
CID 98041201
(2-nitrophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 45103211
(2-fluoro-3-pyridinyl)-phenylmethanol
CID 12711112
ethane;2-fluoro-3-[2-(2-nitrophenyl)ethynyl]pyridine
CID 91439826
1-(2-nitrophenyl)propane-1,2,3-triol
CID 68901921
(S)-1H-indol-3-yl-(2-nitrophenyl)methanol
CID 101411008
1-(2-nitrophenyl)propane-1,2-diol
CID 10943439
2,2,2-trichloro-1-(2-nitrophenyl)ethanol
CID 11207975
(R)-(2-fluoro-3-pyridinyl)-pyridin-3-ylmethanol
CID 86334771
2-[(1R,2R)-1,2-dichloro-2-(2-nitrophenyl)ethyl]pyridine
CID 7142020
(S)-(2-nitrophenyl)-thiophen-3-ylmethanol
CID 125475406
1-(dibromomethyl)-2-nitrobenzene
CID 11066341

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-pyridinyl)-(2-nitrophenyl)methanol?
The IUPAC name of (2-fluoro-3-pyridinyl)-(2-nitrophenyl)methanol (CID 12711118) is (2-fluoro-3-pyridinyl)-(2-nitrophenyl)methanol.
What is the SMILES notation for (2-fluoro-3-pyridinyl)-(2-nitrophenyl)methanol?
The canonical SMILES for (2-fluoro-3-pyridinyl)-(2-nitrophenyl)methanol is O=[N+]([O-])c1ccccc1C(O)c1cccnc1F.
What is the InChIKey of (2-fluoro-3-pyridinyl)-(2-nitrophenyl)methanol?
The InChIKey is VVILYUQJRFNRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O3/c13-12-9(5-3-7-14-12)11(16)8-4-1-2-6-10(8)15(17)18/h1-7,11,16H.
What are the key properties of (2-fluoro-3-pyridinyl)-(2-nitrophenyl)methanol?
(2-fluoro-3-pyridinyl)-(2-nitrophenyl)methanol has a molecular weight of 248.21 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-pyridinyl)-(2-nitrophenyl)methanol is sourced from PubChem (CID 12711118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).