pentyl 2-pyridin-2-ylthiophene-3-carboxylate

C15H17NO2S — CID 102035777

IUPACpentyl 2-pyridin-2-ylthiophene-3-carboxylate
SMILESCCCCCOC(=O)c1ccsc1-c1ccccn1
InChIInChI=1S/C15H17NO2S/c1-2-3-6-10-18-15(17)12-8-11-19-14(12)13-7-4-5-9-16-13/h4-5,7-9,11H,2-3,6,10H2,1H3
InChIKeyQXNQYTHYPXHWDB-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.16
Rot. Bonds6

About pentyl 2-pyridin-2-ylthiophene-3-carboxylate

pentyl 2-pyridin-2-ylthiophene-3-carboxylate (PubChem CID 102035777) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is pentyl 2-pyridin-2-ylthiophene-3-carboxylate.

Molecular Properties

Compound Namepentyl 2-pyridin-2-ylthiophene-3-carboxylate
PubChem CID102035777
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Namepentyl 2-pyridin-2-ylthiophene-3-carboxylate
SMILESCCCCCOC(=O)c1ccsc1-c1ccccn1
InChIInChI=1S/C15H17NO2S/c1-2-3-6-10-18-15(17)12-8-11-19-14(12)13-7-4-5-9-16-13/h4-5,7-9,11H,2-3,6,10H2,1H3
InChIKeyQXNQYTHYPXHWDB-UHFFFAOYSA-N
XLogP4.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(Pyridin-2-yl)thiophene-2-carboxylic acid
CID 736482
Methyl 5-(tert-butyl)-3-[(2-pyridylsulfonyl)methyl]thiophene-2-carboxylate
CID 2739083
Methyl 2-thien-2-ylquinoline-4-carboxylate
CID 3577080
[2-(5-Methylthiophen-2-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8373720
Methyl 2-[(2-oxo-2-phenylethyl)sulfanyl]isonicotinate
CID 902057
Ethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate
CID 4713458
Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate
CID 874726
2-Thiophenecarboxylic acid [3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-2-[2-(2-pyridinyl)ethyl]-7-isoquinolinyl] ester
CID 16745597
5-pyridin-3-ylthiophene-2-carboxylic Acid
CID 4739100
2-(Thiophen-2-yl)pyridine-4-carboxylic acid
CID 4739102
6-(Thiophen-2-Yl)Pyridine-3-Carboxylic Acid
CID 15411144
Ethyl thieno[2,3-b]pyridine-3-carboxylate
CID 21828527

Frequently Asked Questions

What is the IUPAC name of pentyl 2-pyridin-2-ylthiophene-3-carboxylate?
The IUPAC name of pentyl 2-pyridin-2-ylthiophene-3-carboxylate (CID 102035777) is pentyl 2-pyridin-2-ylthiophene-3-carboxylate.
What is the SMILES notation for pentyl 2-pyridin-2-ylthiophene-3-carboxylate?
The canonical SMILES for pentyl 2-pyridin-2-ylthiophene-3-carboxylate is CCCCCOC(=O)c1ccsc1-c1ccccn1.
What is the InChIKey of pentyl 2-pyridin-2-ylthiophene-3-carboxylate?
The InChIKey is QXNQYTHYPXHWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-2-3-6-10-18-15(17)12-8-11-19-14(12)13-7-4-5-9-16-13/h4-5,7-9,11H,2-3,6,10H2,1H3.
What are the key properties of pentyl 2-pyridin-2-ylthiophene-3-carboxylate?
pentyl 2-pyridin-2-ylthiophene-3-carboxylate has a molecular weight of 275.37 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-pyridin-2-ylthiophene-3-carboxylate is sourced from PubChem (CID 102035777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).