(4-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol

C21H19ClFNO2 — CID 56679074

IUPAC(4-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
SMILESCC(C)Oc1ccc(C(O)(c2cccnc2)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C21H19ClFNO2/c1-14(2)26-18-8-5-15(6-9-18)21(25,16-4-3-11-24-13-16)19-10-7-17(22)12-20(19)23/h3-14,25H,1-2H3
InChIKeyZUWWRVWVHVVPND-UHFFFAOYSA-N
MW371.84 g/mol
LogP4.95
Rot. Bonds5

About (4-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol

(4-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol (PubChem CID 56679074) has the molecular formula C21H19ClFNO2 and a molecular weight of 371.84 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
PubChem CID56679074
Molecular FormulaC21H19ClFNO2
Molecular Weight371.84 g/mol
Exact Mass371.11
IUPAC Name(4-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
SMILESCC(C)Oc1ccc(C(O)(c2cccnc2)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C21H19ClFNO2/c1-14(2)26-18-8-5-15(6-9-18)21(25,16-4-3-11-24-13-16)19-10-7-17(22)12-20(19)23/h3-14,25H,1-2H3
InChIKeyZUWWRVWVHVVPND-UHFFFAOYSA-N
XLogP4.95
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol 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

(4-chloro-2-fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56679210
bis(4-chloro-2-fluorophenyl)-pyridin-3-ylmethanol
CID 56682755
(4-chlorophenyl)-(2-methylphenyl)-pyridin-3-ylmethanol
CID 56672766
(4-chlorophenyl)-pyridin-3-yl-[2-(trifluoromethyl)phenyl]methanol
CID 56675903
tripyridin-3-ylmethanol
CID 177395677
4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine
CID 90118273
3-(4-propan-2-yloxyphenyl)pyridine
CID 91807940
4-(hydroxy-phenyl-pyridin-3-ylmethyl)phenol
CID 91752041
4-chloro-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]benzamide
CID 56661987
3-methyl-2-pyridin-3-ylbutan-2-ol
CID 58641587
N-[4-[(4-chlorophenyl)-hydroxy-pyridin-3-ylmethyl]phenyl]methanesulfonamide
CID 56676124
6-(hydroxy-phenyl-pyridin-3-ylmethyl)naphthalen-2-ol
CID 67931636

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
The IUPAC name of (4-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol (CID 56679074) is (4-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol is CC(C)Oc1ccc(C(O)(c2cccnc2)c2ccc(Cl)cc2F)cc1.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
The InChIKey is ZUWWRVWVHVVPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFNO2/c1-14(2)26-18-8-5-15(6-9-18)21(25,16-4-3-11-24-13-16)19-10-7-17(22)12-20(19)23/h3-14,25H,1-2H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol?
(4-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol has a molecular weight of 371.84 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 56679074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).