(7-chlorofuro[2,3-c]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol

C15H9ClF3NO2 — CID 87302150

IUPAC(7-chlorofuro[2,3-c]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cccc(C(F)(F)F)c1)c1cc2ccnc(Cl)c2o1
InChIInChI=1S/C15H9ClF3NO2/c16-14-13-9(4-5-20-14)7-11(22-13)12(21)8-2-1-3-10(6-8)15(17,18)19/h1-7,12,21H
InChIKeyYGUMQWZYCNHAHT-UHFFFAOYSA-N
MW327.69 g/mol
LogP4.58
Rot. Bonds2

About (7-chlorofuro[2,3-c]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol

(7-chlorofuro[2,3-c]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 87302150) has the molecular formula C15H9ClF3NO2 and a molecular weight of 327.69 g/mol. Its IUPAC name is (7-chlorofuro[2,3-c]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(7-chlorofuro[2,3-c]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol
PubChem CID87302150
Molecular FormulaC15H9ClF3NO2
Molecular Weight327.69 g/mol
Exact Mass327.03
IUPAC Name(7-chlorofuro[2,3-c]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cccc(C(F)(F)F)c1)c1cc2ccnc(Cl)c2o1
InChIInChI=1S/C15H9ClF3NO2/c16-14-13-9(4-5-20-14)7-11(22-13)12(21)8-2-1-3-10(6-8)15(17,18)19/h1-7,12,21H
InChIKeyYGUMQWZYCNHAHT-UHFFFAOYSA-N
XLogP4.58
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.69
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-chlorofuro[2,3-c]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (7-chlorofuro[2,3-c]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol (CID 87302150) is (7-chlorofuro[2,3-c]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (7-chlorofuro[2,3-c]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (7-chlorofuro[2,3-c]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol is OC(c1cccc(C(F)(F)F)c1)c1cc2ccnc(Cl)c2o1.
What is the InChIKey of (7-chlorofuro[2,3-c]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is YGUMQWZYCNHAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3NO2/c16-14-13-9(4-5-20-14)7-11(22-13)12(21)8-2-1-3-10(6-8)15(17,18)19/h1-7,12,21H.
What are the key properties of (7-chlorofuro[2,3-c]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol?
(7-chlorofuro[2,3-c]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 327.69 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chlorofuro[2,3-c]pyridin-2-yl)-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 87302150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).