13-pyridin-3-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carbaldehyde

C19H15NOS — CID 143833301

IUPAC13-pyridin-3-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carbaldehyde
SMILESO=Cc1cc2c(s1)-c1cc(-c3cccnc3)ccc1CCC2
InChIInChI=1S/C19H15NOS/c21-12-17-9-15-4-1-3-13-6-7-14(10-18(13)19(15)22-17)16-5-2-8-20-11-16/h2,5-12H,1,3-4H2
InChIKeyHDYXWWBTIPPCHP-UHFFFAOYSA-N
MW305.40 g/mol
LogP4.78
Rot. Bonds2

About 13-pyridin-3-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carbaldehyde

13-pyridin-3-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carbaldehyde (PubChem CID 143833301) has the molecular formula C19H15NOS and a molecular weight of 305.40 g/mol. Its IUPAC name is 13-pyridin-3-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carbaldehyde.

Molecular Properties

Compound Name13-pyridin-3-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carbaldehyde
PubChem CID143833301
Molecular FormulaC19H15NOS
Molecular Weight305.40 g/mol
Exact Mass305.09
IUPAC Name13-pyridin-3-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carbaldehyde
SMILESO=Cc1cc2c(s1)-c1cc(-c3cccnc3)ccc1CCC2
InChIInChI=1S/C19H15NOS/c21-12-17-9-15-4-1-3-13-6-7-14(10-18(13)19(15)22-17)16-5-2-8-20-11-16/h2,5-12H,1,3-4H2
InChIKeyHDYXWWBTIPPCHP-UHFFFAOYSA-N
XLogP4.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-pyridin-4-yl-1-(13-pyridin-3-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone
CID 58164789
2-(2-chloro-6-fluorophenyl)-1-(13-pyridin-3-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)ethanone
CID 58164635
5-pyridin-3-yl-2,3-dihydroinden-1-one
CID 18407230
N-(9-pyridin-3-yl-11-bicyclo[5.3.1]undeca-1(10),7(11),8-trienyl)formamide
CID 143888757
8-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide
CID 123312853
2,4-dipyridin-3-ylaniline
CID 46316358
2,6-difluoro-N-(14-pyridin-3-yl-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-yl)benzamide
CID 59738062
6-pyridin-3-yl-2,3-dihydrochromen-4-one
CID 125180520
6-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410365
2-(2,6-difluorophenyl)-1-[13-(3-methylimidazol-4-yl)-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl]ethanone
CID 58164644
2-pyridin-3-yl-5,6,7,8-tetrahydroquinoline
CID 59083928
3-azulen-6-ylpyridine
CID 86232079

Frequently Asked Questions

What is the IUPAC name of 13-pyridin-3-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carbaldehyde?
The IUPAC name of 13-pyridin-3-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carbaldehyde (CID 143833301) is 13-pyridin-3-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carbaldehyde.
What is the SMILES notation for 13-pyridin-3-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carbaldehyde?
The canonical SMILES for 13-pyridin-3-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carbaldehyde is O=Cc1cc2c(s1)-c1cc(-c3cccnc3)ccc1CCC2.
What is the InChIKey of 13-pyridin-3-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carbaldehyde?
The InChIKey is HDYXWWBTIPPCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NOS/c21-12-17-9-15-4-1-3-13-6-7-14(10-18(13)19(15)22-17)16-5-2-8-20-11-16/h2,5-12H,1,3-4H2.
What are the key properties of 13-pyridin-3-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carbaldehyde?
13-pyridin-3-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carbaldehyde has a molecular weight of 305.40 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-pyridin-3-yl-3-thiatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-4-carbaldehyde is sourced from PubChem (CID 143833301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).