2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol

C14H14ClFN2O — CID 83126820

IUPAC2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCC(CO)(Nc1ccccc1Cl)c1ccc(F)cn1
InChIInChI=1S/C14H14ClFN2O/c1-14(9-19,13-7-6-10(16)8-17-13)18-12-5-3-2-4-11(12)15/h2-8,18-19H,9H2,1H3
InChIKeyZYVDFTHCIUIMLH-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.19
Rot. Bonds4

About 2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol

2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol (PubChem CID 83126820) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol
PubChem CID83126820
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCC(CO)(Nc1ccccc1Cl)c1ccc(F)cn1
InChIInChI=1S/C14H14ClFN2O/c1-14(9-19,13-7-6-10(16)8-17-13)18-12-5-3-2-4-11(12)15/h2-8,18-19H,9H2,1H3
InChIKeyZYVDFTHCIUIMLH-UHFFFAOYSA-N
XLogP3.19
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol 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-(2-chloroanilino)-2-(2,6-difluorophenyl)propan-1-ol
CID 61049935
2-(2-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
CID 61049535
2-(2-chloroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol
CID 114834181
2-(2-chloroanilino)-2-methylbutan-1-ol
CID 61047731
2-(2-chloroanilino)-2-(4-chlorophenyl)propan-1-ol
CID 61050132
2-(2-fluoroanilino)-2-pyridin-2-ylpropan-1-ol
CID 61050104
4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol
CID 61047734
2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol
CID 61049736
2-(2-fluoroanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol
CID 115940892
2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol
CID 62914828
2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61050529
2-(5-fluoro-2-pyridinyl)-2-(2-methoxyanilino)butan-1-ol
CID 115940889

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol?
The IUPAC name of 2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol (CID 83126820) is 2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for 2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol is CC(CO)(Nc1ccccc1Cl)c1ccc(F)cn1.
What is the InChIKey of 2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol?
The InChIKey is ZYVDFTHCIUIMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-14(9-19,13-7-6-10(16)8-17-13)18-12-5-3-2-4-11(12)15/h2-8,18-19H,9H2,1H3.
What are the key properties of 2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol?
2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol has a molecular weight of 280.73 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 83126820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).