2-cyclohepta-1,4,6-trien-1-yloxy-3-methylpyridine

C13H13NO — CID 143217388

IUPAC2-cyclohepta-1,4,6-trien-1-yloxy-3-methylpyridine
SMILESCc1cccnc1OC1=CCC=CC=C1
InChIInChI=1S/C13H13NO/c1-11-7-6-10-14-13(11)15-12-8-4-2-3-5-9-12/h2-4,6-10H,5H2,1H3
InChIKeyHBWHLBIDCZGCIC-UHFFFAOYSA-N
MW199.25 g/mol
LogP3.17
Rot. Bonds2

About 2-cyclohepta-1,4,6-trien-1-yloxy-3-methylpyridine

2-cyclohepta-1,4,6-trien-1-yloxy-3-methylpyridine (PubChem CID 143217388) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-cyclohepta-1,4,6-trien-1-yloxy-3-methylpyridine.

Molecular Properties

Compound Name2-cyclohepta-1,4,6-trien-1-yloxy-3-methylpyridine
PubChem CID143217388
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2-cyclohepta-1,4,6-trien-1-yloxy-3-methylpyridine
SMILESCc1cccnc1OC1=CCC=CC=C1
InChIInChI=1S/C13H13NO/c1-11-7-6-10-14-13(11)15-12-8-4-2-3-5-9-12/h2-4,6-10H,5H2,1H3
InChIKeyHBWHLBIDCZGCIC-UHFFFAOYSA-N
XLogP3.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclohepta-1,4,6-trien-1-yloxy-2-methylpyridine
CID 142352024
3-methyl-2-pyridin-2-yloxypyridine
CID 67923794
2-[(3-methyl-2-pyridinyl)oxy]pyridin-3-amine
CID 901895
O-(3-methyl-2-pyridinyl)hydroxylamine
CID 79422028
2-[(3-methyl-2-pyridinyl)oxy]aniline
CID 62253528
trimethyl-[(3-methyl-2-pyridinyl)oxy]silane
CID 19788117
3-methyl-2-propan-2-yloxypyridine
CID 21334096
2-(4-bromo-3-methylphenoxy)-3-methylpyridine
CID 83139867
[2-[(3-methyl-2-pyridinyl)oxy]phenyl]methanol
CID 107713381
4-N,4-N-dimethyl-2-[(3-methyl-2-pyridinyl)oxy]benzene-1,4-diamine
CID 79589171
cyclohepta-1,4,6-trien-1-yl-(2-methylphenyl)methanol
CID 71156292
5H-cyclohepta[b]pyridine;ethane
CID 143711101

Frequently Asked Questions

What is the IUPAC name of 2-cyclohepta-1,4,6-trien-1-yloxy-3-methylpyridine?
The IUPAC name of 2-cyclohepta-1,4,6-trien-1-yloxy-3-methylpyridine (CID 143217388) is 2-cyclohepta-1,4,6-trien-1-yloxy-3-methylpyridine.
What is the SMILES notation for 2-cyclohepta-1,4,6-trien-1-yloxy-3-methylpyridine?
The canonical SMILES for 2-cyclohepta-1,4,6-trien-1-yloxy-3-methylpyridine is Cc1cccnc1OC1=CCC=CC=C1.
What is the InChIKey of 2-cyclohepta-1,4,6-trien-1-yloxy-3-methylpyridine?
The InChIKey is HBWHLBIDCZGCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-11-7-6-10-14-13(11)15-12-8-4-2-3-5-9-12/h2-4,6-10H,5H2,1H3.
What are the key properties of 2-cyclohepta-1,4,6-trien-1-yloxy-3-methylpyridine?
2-cyclohepta-1,4,6-trien-1-yloxy-3-methylpyridine has a molecular weight of 199.25 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohepta-1,4,6-trien-1-yloxy-3-methylpyridine is sourced from PubChem (CID 143217388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).