(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-[4-(trifluoromethyl)phenyl]methanol

C19H20F3NO — CID 10382295

IUPAC(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-[4-(trifluoromethyl)phenyl]methanol
SMILESCc1cc2c(nc1C(O)c1ccc(C(F)(F)F)cc1)CCCCC2
InChIInChI=1S/C19H20F3NO/c1-12-11-14-5-3-2-4-6-16(14)23-17(12)18(24)13-7-9-15(10-8-13)19(20,21)22/h7-11,18,24H,2-6H2,1H3
InChIKeyLEHKFBBDYVDVSR-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.76
Rot. Bonds2

About (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-[4-(trifluoromethyl)phenyl]methanol

(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 10382295) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-[4-(trifluoromethyl)phenyl]methanol
PubChem CID10382295
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-[4-(trifluoromethyl)phenyl]methanol
SMILESCc1cc2c(nc1C(O)c1ccc(C(F)(F)F)cc1)CCCCC2
InChIInChI=1S/C19H20F3NO/c1-12-11-14-5-3-2-4-6-16(14)23-17(12)18(24)13-7-9-15(10-8-13)19(20,21)22/h7-11,18,24H,2-6H2,1H3
InChIKeyLEHKFBBDYVDVSR-UHFFFAOYSA-N
XLogP4.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-[4-(trifluoromethyl)phenyl]methanol (CID 10382295) is (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-[4-(trifluoromethyl)phenyl]methanol is Cc1cc2c(nc1C(O)c1ccc(C(F)(F)F)cc1)CCCCC2.
What is the InChIKey of (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is LEHKFBBDYVDVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO/c1-12-11-14-5-3-2-4-6-16(14)23-17(12)18(24)13-7-9-15(10-8-13)19(20,21)22/h7-11,18,24H,2-6H2,1H3.
What are the key properties of (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-[4-(trifluoromethyl)phenyl]methanol?
(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 335.37 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 10382295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).