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

C17H20N2O — CID 10333259

IUPAC(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-pyridin-3-ylmethanol
SMILESCc1cc2c(nc1C(O)c1cccnc1)CCCCC2
InChIInChI=1S/C17H20N2O/c1-12-10-13-6-3-2-4-8-15(13)19-16(12)17(20)14-7-5-9-18-11-14/h5,7,9-11,17,20H,2-4,6,8H2,1H3
InChIKeyPTEHCHSXJWTMLD-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.14
Rot. Bonds2

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

(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-pyridin-3-ylmethanol (PubChem CID 10333259) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-pyridin-3-ylmethanol
PubChem CID10333259
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-pyridin-3-ylmethanol
SMILESCc1cc2c(nc1C(O)c1cccnc1)CCCCC2
InChIInChI=1S/C17H20N2O/c1-12-10-13-6-3-2-4-8-15(13)19-16(12)17(20)14-7-5-9-18-11-14/h5,7,9-11,17,20H,2-4,6,8H2,1H3
InChIKeyPTEHCHSXJWTMLD-UHFFFAOYSA-N
XLogP3.14
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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)-pyridin-3-ylmethanol?
The IUPAC name of (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-pyridin-3-ylmethanol (CID 10333259) is (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-pyridin-3-ylmethanol.
What is the SMILES notation for (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-pyridin-3-ylmethanol?
The canonical SMILES for (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-pyridin-3-ylmethanol is Cc1cc2c(nc1C(O)c1cccnc1)CCCCC2.
What is the InChIKey of (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-pyridin-3-ylmethanol?
The InChIKey is PTEHCHSXJWTMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-10-13-6-3-2-4-8-15(13)19-16(12)17(20)14-7-5-9-18-11-14/h5,7,9-11,17,20H,2-4,6,8H2,1H3.
What are the key properties of (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-pyridin-3-ylmethanol?
(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-pyridin-3-ylmethanol has a molecular weight of 268.36 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 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)-pyridin-3-ylmethanol is sourced from PubChem (CID 10333259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).