2-[2-(6-chloro-4-fluoro-3-pyridinyl)-5-fluoro-4-pyridinyl]propan-2-ol

C13H11ClF2N2O — CID 167426361

IUPAC2-[2-(6-chloro-4-fluoro-3-pyridinyl)-5-fluoro-4-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2cnc(Cl)cc2F)ncc1F
InChIInChI=1S/C13H11ClF2N2O/c1-13(2,19)8-3-11(17-6-10(8)16)7-5-18-12(14)4-9(7)15/h3-6,19H,1-2H3
InChIKeyZKERNGCLBWYJTQ-UHFFFAOYSA-N
MW284.69 g/mol
LogP3.30
Rot. Bonds2

About 2-[2-(6-chloro-4-fluoro-3-pyridinyl)-5-fluoro-4-pyridinyl]propan-2-ol

2-[2-(6-chloro-4-fluoro-3-pyridinyl)-5-fluoro-4-pyridinyl]propan-2-ol (PubChem CID 167426361) has the molecular formula C13H11ClF2N2O and a molecular weight of 284.69 g/mol. Its IUPAC name is 2-[2-(6-chloro-4-fluoro-3-pyridinyl)-5-fluoro-4-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(6-chloro-4-fluoro-3-pyridinyl)-5-fluoro-4-pyridinyl]propan-2-ol
PubChem CID167426361
Molecular FormulaC13H11ClF2N2O
Molecular Weight284.69 g/mol
Exact Mass284.05
IUPAC Name2-[2-(6-chloro-4-fluoro-3-pyridinyl)-5-fluoro-4-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(-c2cnc(Cl)cc2F)ncc1F
InChIInChI=1S/C13H11ClF2N2O/c1-13(2,19)8-3-11(17-6-10(8)16)7-5-18-12(14)4-9(7)15/h3-6,19H,1-2H3
InChIKeyZKERNGCLBWYJTQ-UHFFFAOYSA-N
XLogP3.30
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(6-chloro-4-fluoro-3-pyridinyl)-5-fluoro-4-pyridinyl]propan-2-ol with MolForge

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Related Compounds

2-chloro-4-fluoro-5-[5-(2-fluoropropan-2-yl)-2-pyridinyl]pyridine
CID 167426394
2-(4-amino-6-chloro-3-pyridinyl)propan-2-ol
CID 21073242
2-chloro-4-fluoro-5-(6-fluoro-4-methyl-2-pyridinyl)pyridine
CID 167426313
2-(6-chloro-4-fluoro-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 167425848
5-(6-chloro-4-fluoro-3-pyridinyl)-3-propan-2-yl-1,2-oxazole
CID 167426157
2-chloro-4-ethoxy-5-fluoropyridine
CID 82653688
(4S)-5-[[6-(2-chloro-5-fluoro-4-pyridinyl)-4-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 135282879
4,5-ditert-butyl-2-chloropyridine
CID 155787493
2-chloro-5-fluoro-N-methylpyridin-4-amine
CID 118992251
4-fluoro-2,5-bis(2,3,4-trichlorophenyl)pyridine
CID 133090114
2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 135179269
2-(6-chloro-4-fluoro-3-pyridinyl)acetic acid
CID 119016121

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-chloro-4-fluoro-3-pyridinyl)-5-fluoro-4-pyridinyl]propan-2-ol?
The IUPAC name of 2-[2-(6-chloro-4-fluoro-3-pyridinyl)-5-fluoro-4-pyridinyl]propan-2-ol (CID 167426361) is 2-[2-(6-chloro-4-fluoro-3-pyridinyl)-5-fluoro-4-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[2-(6-chloro-4-fluoro-3-pyridinyl)-5-fluoro-4-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[2-(6-chloro-4-fluoro-3-pyridinyl)-5-fluoro-4-pyridinyl]propan-2-ol is CC(C)(O)c1cc(-c2cnc(Cl)cc2F)ncc1F.
What is the InChIKey of 2-[2-(6-chloro-4-fluoro-3-pyridinyl)-5-fluoro-4-pyridinyl]propan-2-ol?
The InChIKey is ZKERNGCLBWYJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O/c1-13(2,19)8-3-11(17-6-10(8)16)7-5-18-12(14)4-9(7)15/h3-6,19H,1-2H3.
What are the key properties of 2-[2-(6-chloro-4-fluoro-3-pyridinyl)-5-fluoro-4-pyridinyl]propan-2-ol?
2-[2-(6-chloro-4-fluoro-3-pyridinyl)-5-fluoro-4-pyridinyl]propan-2-ol has a molecular weight of 284.69 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-chloro-4-fluoro-3-pyridinyl)-5-fluoro-4-pyridinyl]propan-2-ol is sourced from PubChem (CID 167426361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).