2-(5-ethynyl-2-pyridinyl)aniline

C13H10N2 — CID 87445058

IUPAC2-(5-ethynyl-2-pyridinyl)aniline
SMILESC#Cc1ccc(-c2ccccc2N)nc1
InChIInChI=1S/C13H10N2/c1-2-10-7-8-13(15-9-10)11-5-3-4-6-12(11)14/h1,3-9H,14H2
InChIKeyJRZRNCRTOZLZSR-UHFFFAOYSA-N
MW194.24 g/mol
LogP2.31
Rot. Bonds1

About 2-(5-ethynyl-2-pyridinyl)aniline

2-(5-ethynyl-2-pyridinyl)aniline (PubChem CID 87445058) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(5-ethynyl-2-pyridinyl)aniline.

Molecular Properties

Compound Name2-(5-ethynyl-2-pyridinyl)aniline
PubChem CID87445058
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name2-(5-ethynyl-2-pyridinyl)aniline
SMILESC#Cc1ccc(-c2ccccc2N)nc1
InChIInChI=1S/C13H10N2/c1-2-10-7-8-13(15-9-10)11-5-3-4-6-12(11)14/h1,3-9H,14H2
InChIKeyJRZRNCRTOZLZSR-UHFFFAOYSA-N
XLogP2.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethynyl-2-pyridinyl)aniline?
The IUPAC name of 2-(5-ethynyl-2-pyridinyl)aniline (CID 87445058) is 2-(5-ethynyl-2-pyridinyl)aniline.
What is the SMILES notation for 2-(5-ethynyl-2-pyridinyl)aniline?
The canonical SMILES for 2-(5-ethynyl-2-pyridinyl)aniline is C#Cc1ccc(-c2ccccc2N)nc1.
What is the InChIKey of 2-(5-ethynyl-2-pyridinyl)aniline?
The InChIKey is JRZRNCRTOZLZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-2-10-7-8-13(15-9-10)11-5-3-4-6-12(11)14/h1,3-9H,14H2.
What are the key properties of 2-(5-ethynyl-2-pyridinyl)aniline?
2-(5-ethynyl-2-pyridinyl)aniline has a molecular weight of 194.24 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethynyl-2-pyridinyl)aniline is sourced from PubChem (CID 87445058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).