2-azido-4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenol

C14H12N4O — CID 135767214

IUPAC2-azido-4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenol
SMILESCc1cccc(/C=C/c2ccc(O)c(N=[N+]=[N-])c2)n1
InChIInChI=1S/C14H12N4O/c1-10-3-2-4-12(16-10)7-5-11-6-8-14(19)13(9-11)17-18-15/h2-9,19H,1H3/b7-5+
InChIKeyQWJKVBBPHGDIRV-FNORWQNLSA-N
MW252.28 g/mol
LogP4.21
Rot. Bonds3

About 2-azido-4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenol

2-azido-4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenol (PubChem CID 135767214) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-azido-4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenol.

Molecular Properties

Compound Name2-azido-4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenol
PubChem CID135767214
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-azido-4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenol
SMILESCc1cccc(/C=C/c2ccc(O)c(N=[N+]=[N-])c2)n1
InChIInChI=1S/C14H12N4O/c1-10-3-2-4-12(16-10)7-5-11-6-8-14(19)13(9-11)17-18-15/h2-9,19H,1H3/b7-5+
InChIKeyQWJKVBBPHGDIRV-FNORWQNLSA-N
XLogP4.21
TPSA81.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-[(Z)-2-(6-methyl-2-pyridinyl)ethenyl]-2-nitrophenol
CID 69157141
2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]pyridine
CID 18763193
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-methylpyridine
CID 18763165
2-methyl-6-[(Z)-2-phenylethenyl]pyridine
CID 6604016
2-(4-azidobut-1-enyl)-6-methylpyridine
CID 170484756
2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-6-methylpyridine
CID 54485530
3-[2-(6-methyl-2-pyridinyl)ethenyl]benzamide
CID 69156491
2-[(E)-2-(3-ethynylphenyl)ethenyl]-6-methylpyridine
CID 18763112
2-azido-4-(4-methylphenyl)phenol
CID 11586627
2-azido-4-iodo-5-[2-(6-methyl-2-pyridinyl)ethynyl]phenol
CID 18763152
2-methyl-6-[(Z)-2-pyridin-2-ylethenyl]pyridine
CID 141005556
1-azido-4-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 100945639

Frequently Asked Questions

What is the IUPAC name of 2-azido-4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenol?
The IUPAC name of 2-azido-4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenol (CID 135767214) is 2-azido-4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenol.
What is the SMILES notation for 2-azido-4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenol?
The canonical SMILES for 2-azido-4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenol is Cc1cccc(/C=C/c2ccc(O)c(N=[N+]=[N-])c2)n1.
What is the InChIKey of 2-azido-4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenol?
The InChIKey is QWJKVBBPHGDIRV-FNORWQNLSA-N. The full InChI is InChI=1S/C14H12N4O/c1-10-3-2-4-12(16-10)7-5-11-6-8-14(19)13(9-11)17-18-15/h2-9,19H,1H3/b7-5+.
What are the key properties of 2-azido-4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenol?
2-azido-4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenol has a molecular weight of 252.28 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]phenol is sourced from PubChem (CID 135767214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).