2-(5-formylthiophen-2-yl)pyridine-3-carbonitrile

C11H6N2OS — CID 83395133

IUPAC2-(5-formylthiophen-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1-c1ccc(C=O)s1
InChIInChI=1S/C11H6N2OS/c12-6-8-2-1-5-13-11(8)10-4-3-9(7-14)15-10/h1-5,7H
InChIKeyBWAKTXYUTCLANL-UHFFFAOYSA-N
MW214.25 g/mol
LogP2.49
Rot. Bonds2

About 2-(5-formylthiophen-2-yl)pyridine-3-carbonitrile

2-(5-formylthiophen-2-yl)pyridine-3-carbonitrile (PubChem CID 83395133) has the molecular formula C11H6N2OS and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(5-formylthiophen-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(5-formylthiophen-2-yl)pyridine-3-carbonitrile
PubChem CID83395133
Molecular FormulaC11H6N2OS
Molecular Weight214.25 g/mol
Exact Mass214.02
IUPAC Name2-(5-formylthiophen-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1-c1ccc(C=O)s1
InChIInChI=1S/C11H6N2OS/c12-6-8-2-1-5-13-11(8)10-4-3-9(7-14)15-10/h1-5,7H
InChIKeyBWAKTXYUTCLANL-UHFFFAOYSA-N
XLogP2.49
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(5-formylthiophen-2-yl)-2-hydroxybenzonitrile
CID 53219922
2-(1,3-thiazol-4-yl)pyridine-3-carbonitrile
CID 175814538
2-(3-oxoprop-1-enyl)pyridine-3-carbonitrile
CID 169458794
2-(1-methylindol-3-yl)pyridine-3-carbonitrile
CID 11218536
5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde
CID 170901047
2-formyl-1-benzothiophene-7-carbonitrile
CID 118056504
2-(3,4-dimethylphenyl)pyridine-3-carbonitrile
CID 117001809
2-fluoropyridine-3-carbonitrile
CID 2783254
2-(5-chloro-1H-pyrazol-4-yl)pyridine-3-carbonitrile
CID 173165260
2-(3-methyl-4-pyridinyl)pyridine-3-carbonitrile
CID 58049948
2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile
CID 144657133
5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde
CID 122242400

Frequently Asked Questions

What is the IUPAC name of 2-(5-formylthiophen-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(5-formylthiophen-2-yl)pyridine-3-carbonitrile (CID 83395133) is 2-(5-formylthiophen-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(5-formylthiophen-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(5-formylthiophen-2-yl)pyridine-3-carbonitrile is N#Cc1cccnc1-c1ccc(C=O)s1.
What is the InChIKey of 2-(5-formylthiophen-2-yl)pyridine-3-carbonitrile?
The InChIKey is BWAKTXYUTCLANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2OS/c12-6-8-2-1-5-13-11(8)10-4-3-9(7-14)15-10/h1-5,7H.
What are the key properties of 2-(5-formylthiophen-2-yl)pyridine-3-carbonitrile?
2-(5-formylthiophen-2-yl)pyridine-3-carbonitrile has a molecular weight of 214.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formylthiophen-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 83395133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).