5H-cyclohepta[b]pyridine;ethane

C12H15N — CID 143711101

IUPAC5H-cyclohepta[b]pyridine;ethane
SMILESC1=CCc2cccnc2C=C1.CC
InChIInChI=1S/C10H9N.C2H6/c1-2-5-9-6-4-8-11-10(9)7-3-1;1-2/h1-4,6-8H,5H2;1-2H3
InChIKeyCQLYSVNMNJGBLB-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.23
Rot. Bonds

About 5H-cyclohepta[b]pyridine;ethane

5H-cyclohepta[b]pyridine;ethane (PubChem CID 143711101) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 5H-cyclohepta[b]pyridine;ethane.

Molecular Properties

Compound Name5H-cyclohepta[b]pyridine;ethane
PubChem CID143711101
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name5H-cyclohepta[b]pyridine;ethane
SMILESC1=CCc2cccnc2C=C1.CC
InChIInChI=1S/C10H9N.C2H6/c1-2-5-9-6-4-8-11-10(9)7-3-1;1-2/h1-4,6-8H,5H2;1-2H3
InChIKeyCQLYSVNMNJGBLB-UHFFFAOYSA-N
XLogP3.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5H-cyclopenta[b]pyridine
CID 575987
5,6-dihydroquinoline;ethane
CID 142006347
4-methyl-5H-cyclohepta[b]pyridine
CID 143466582
5H-pyrido[2,3-c]azepine;dihydrochloride
CID 170312434
(5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine
CID 91868291
7-methoxy-5H-pyrido[3,2-c]azepine
CID 12921186
5H-quinolin-6-imine
CID 151747487
5H-pyrano[4,3-b]pyridine
CID 19831889
(5S)-5-methyl-5H-cyclohepta[b]pyridine
CID 143833793
4-azatricyclo[9.4.0.03,8]pentadeca-1,3(8),4,6,10,12,14-heptaene
CID 54208249
bis(2,3-dimethylpyridine);ethane
CID 159594018
5H-cyclopenta[b]pyridine;3,4-dihydro-2H-chromene;2,3-dihydrofuro[3,2-b]pyridine;methane;tris(2-methylpropane)
CID 161082469

Frequently Asked Questions

What is the IUPAC name of 5H-cyclohepta[b]pyridine;ethane?
The IUPAC name of 5H-cyclohepta[b]pyridine;ethane (CID 143711101) is 5H-cyclohepta[b]pyridine;ethane.
What is the SMILES notation for 5H-cyclohepta[b]pyridine;ethane?
The canonical SMILES for 5H-cyclohepta[b]pyridine;ethane is C1=CCc2cccnc2C=C1.CC.
What is the InChIKey of 5H-cyclohepta[b]pyridine;ethane?
The InChIKey is CQLYSVNMNJGBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C2H6/c1-2-5-9-6-4-8-11-10(9)7-3-1;1-2/h1-4,6-8H,5H2;1-2H3.
What are the key properties of 5H-cyclohepta[b]pyridine;ethane?
5H-cyclohepta[b]pyridine;ethane has a molecular weight of 173.26 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-cyclohepta[b]pyridine;ethane is sourced from PubChem (CID 143711101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).