(5S)-5-methyl-5H-cyclohepta[b]pyridine

C11H11N — CID 143833793

IUPAC(5S)-5-methyl-5H-cyclohepta[b]pyridine
SMILESC[C@H]1C=CC=Cc2ncccc21
InChIInChI=1S/C11H11N/c1-9-5-2-3-7-11-10(9)6-4-8-12-11/h2-9H,1H3/t9-/m0/s1
InChIKeyAJLBIOYOVSXYMZ-VIFPVBQESA-N
MW157.22 g/mol
LogP2.77
Rot. Bonds

About (5S)-5-methyl-5H-cyclohepta[b]pyridine

(5S)-5-methyl-5H-cyclohepta[b]pyridine (PubChem CID 143833793) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is (5S)-5-methyl-5H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name(5S)-5-methyl-5H-cyclohepta[b]pyridine
PubChem CID143833793
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name(5S)-5-methyl-5H-cyclohepta[b]pyridine
SMILESC[C@H]1C=CC=Cc2ncccc21
InChIInChI=1S/C11H11N/c1-9-5-2-3-7-11-10(9)6-4-8-12-11/h2-9H,1H3/t9-/m0/s1
InChIKeyAJLBIOYOVSXYMZ-VIFPVBQESA-N
XLogP2.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5H-cyclohepta[b]pyridin-5-ol
CID 123855749
(5E,7Z,9Z,11Z,13E)-cyclododeca[b]pyridine
CID 91868291
ethane;7-methyl-7H-cyclohepta[b]pyridine
CID 143091378
5,6-dimethyl-5H-cyclopenta[b]pyridine
CID 12646115
(5S,6R)-5,6-dideuterioquinoline-5,6-diol
CID 100921923
(5R,6R)-5,6-dideuterioquinoline-5,6-diol
CID 10607125
6,7-dimethyl-7H-cyclohepta[b]pyridine
CID 155713495
1a,7b-dideuteriooxireno[2,3-f]quinoline
CID 100921913
5H-cyclohepta[b]pyridine;ethane
CID 143711101
1,4-dimethyl-1,4-dihydronaphthalene
CID 13283200
5,6-dihydroquinolin-5-ol
CID 45079815
(5R)-5,6-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 58714676

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5H-cyclohepta[b]pyridine?
The IUPAC name of (5S)-5-methyl-5H-cyclohepta[b]pyridine (CID 143833793) is (5S)-5-methyl-5H-cyclohepta[b]pyridine.
What is the SMILES notation for (5S)-5-methyl-5H-cyclohepta[b]pyridine?
The canonical SMILES for (5S)-5-methyl-5H-cyclohepta[b]pyridine is C[C@H]1C=CC=Cc2ncccc21.
What is the InChIKey of (5S)-5-methyl-5H-cyclohepta[b]pyridine?
The InChIKey is AJLBIOYOVSXYMZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11N/c1-9-5-2-3-7-11-10(9)6-4-8-12-11/h2-9H,1H3/t9-/m0/s1.
What are the key properties of (5S)-5-methyl-5H-cyclohepta[b]pyridine?
(5S)-5-methyl-5H-cyclohepta[b]pyridine has a molecular weight of 157.22 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5H-cyclohepta[b]pyridine is sourced from PubChem (CID 143833793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).