2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]pyridine

C19H17NS — CID 139563253

IUPAC2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]pyridine
SMILESC=C(CCC(=C)c1ccccn1)c1ccc2sccc2c1
InChIInChI=1S/C19H17NS/c1-14(6-7-15(2)18-5-3-4-11-20-18)16-8-9-19-17(13-16)10-12-21-19/h3-5,8-13H,1-2,6-7H2
InChIKeyRIKHKNZFEDPXMZ-UHFFFAOYSA-N
MW291.42 g/mol
LogP5.80
Rot. Bonds5

About 2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]pyridine

2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]pyridine (PubChem CID 139563253) has the molecular formula C19H17NS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]pyridine.

Molecular Properties

Compound Name2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]pyridine
PubChem CID139563253
Molecular FormulaC19H17NS
Molecular Weight291.42 g/mol
Exact Mass291.11
IUPAC Name2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]pyridine
SMILESC=C(CCC(=C)c1ccccn1)c1ccc2sccc2c1
InChIInChI=1S/C19H17NS/c1-14(6-7-15(2)18-5-3-4-11-20-18)16-8-9-19-17(13-16)10-12-21-19/h3-5,8-13H,1-2,6-7H2
InChIKeyRIKHKNZFEDPXMZ-UHFFFAOYSA-N
XLogP5.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.42
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]pyrimidine
CID 139563355
2-[5-(1H-inden-5-yl)hexa-1,5-dien-2-yl]pyridine
CID 139563102
1-(1-benzothiophen-5-yl)-4-pyridazin-3-ylbutane-1,4-dione
CID 90363766
2-hept-1-en-2-ylpyridine
CID 67857415
3-pyridin-2-ylbut-3-enenitrile
CID 14046525
2-(4,4,4-trifluorobut-1-en-2-yl)pyridine
CID 102489188
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methyl-1-benzothiophene-5-carboxamide
CID 97152757
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1-benzothiophene-5-carboxamide
CID 70736934
5-pyridin-2-ylhex-5-ene-1-sulfonic acid
CID 175534242
1-(1-benzothiophen-5-yl)pent-4-yn-1-one
CID 130921085
4-(1-benzothiophen-5-yl)-4-hydroxy-1-pyrimidin-2-ylbutan-1-one
CID 123400170
2-(1-benzothiophen-5-yl)-2-oxoacetamide
CID 144811555

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]pyridine?
The IUPAC name of 2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]pyridine (CID 139563253) is 2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]pyridine.
What is the SMILES notation for 2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]pyridine?
The canonical SMILES for 2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]pyridine is C=C(CCC(=C)c1ccccn1)c1ccc2sccc2c1.
What is the InChIKey of 2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]pyridine?
The InChIKey is RIKHKNZFEDPXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NS/c1-14(6-7-15(2)18-5-3-4-11-20-18)16-8-9-19-17(13-16)10-12-21-19/h3-5,8-13H,1-2,6-7H2.
What are the key properties of 2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]pyridine?
2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]pyridine has a molecular weight of 291.42 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzothiophen-5-yl)hexa-1,5-dien-2-yl]pyridine is sourced from PubChem (CID 139563253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).