3-[2-(6-methyl-2-pyridinyl)ethynyl]aniline

C14H12N2 — CID 18763151

IUPAC3-[2-(6-methyl-2-pyridinyl)ethynyl]aniline
SMILESCc1cccc(C#Cc2cccc(N)c2)n1
InChIInChI=1S/C14H12N2/c1-11-4-2-7-14(16-11)9-8-12-5-3-6-13(15)10-12/h2-7,10H,15H2,1H3
InChIKeyFGJHYEVFDNXSSV-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.37
Rot. Bonds

About 3-[2-(6-methyl-2-pyridinyl)ethynyl]aniline

3-[2-(6-methyl-2-pyridinyl)ethynyl]aniline (PubChem CID 18763151) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[2-(6-methyl-2-pyridinyl)ethynyl]aniline.

Molecular Properties

Compound Name3-[2-(6-methyl-2-pyridinyl)ethynyl]aniline
PubChem CID18763151
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name3-[2-(6-methyl-2-pyridinyl)ethynyl]aniline
SMILESCc1cccc(C#Cc2cccc(N)c2)n1
InChIInChI=1S/C14H12N2/c1-11-4-2-7-14(16-11)9-8-12-5-3-6-13(15)10-12/h2-7,10H,15H2,1H3
InChIKeyFGJHYEVFDNXSSV-UHFFFAOYSA-N
XLogP2.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.37
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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Related Compounds

2,4,6-Trimethylpyridine
CID 7953
4-Amino-2-methylquinoline
CID 81116
2-Methylquinolin-6-amine
CID 103148
Sib 1893
CID 5311432
Adx 10059
CID 10331863
Mpep
CID 3025961
2,3,6-Trimethylpyridine
CID 15100
2-Methyl-8-aminoquinoline
CID 140457
2,6-Diphenylpyridine
CID 72920
3-[(6-Methylpyridin-2-yl)ethynyl]benzonitrile
CID 11378977
3,4-Dimethyl-2,6-diphenylpyridine
CID 3110002
2-Methylquinoline-4,6-diamine
CID 223995

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-methyl-2-pyridinyl)ethynyl]aniline?
The IUPAC name of 3-[2-(6-methyl-2-pyridinyl)ethynyl]aniline (CID 18763151) is 3-[2-(6-methyl-2-pyridinyl)ethynyl]aniline.
What is the SMILES notation for 3-[2-(6-methyl-2-pyridinyl)ethynyl]aniline?
The canonical SMILES for 3-[2-(6-methyl-2-pyridinyl)ethynyl]aniline is Cc1cccc(C#Cc2cccc(N)c2)n1.
What is the InChIKey of 3-[2-(6-methyl-2-pyridinyl)ethynyl]aniline?
The InChIKey is FGJHYEVFDNXSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-11-4-2-7-14(16-11)9-8-12-5-3-6-13(15)10-12/h2-7,10H,15H2,1H3.
What are the key properties of 3-[2-(6-methyl-2-pyridinyl)ethynyl]aniline?
3-[2-(6-methyl-2-pyridinyl)ethynyl]aniline has a molecular weight of 208.26 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-methyl-2-pyridinyl)ethynyl]aniline is sourced from PubChem (CID 18763151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).