2-azido-4-iodo-5-[2-(6-methyl-2-pyridinyl)ethynyl]phenol

C14H9IN4O — CID 18763152

IUPAC2-azido-4-iodo-5-[2-(6-methyl-2-pyridinyl)ethynyl]phenol
SMILESCc1cccc(C#Cc2cc(O)c(N=[N+]=[N-])cc2I)n1
InChIInChI=1S/C14H9IN4O/c1-9-3-2-4-11(17-9)6-5-10-7-14(20)13(18-19-16)8-12(10)15/h2-4,7-8,20H,1H3
InChIKeyGODYVRCUBXFSIF-UHFFFAOYSA-N
MW376.16 g/mol
LogP4.04
Rot. Bonds1

About 2-azido-4-iodo-5-[2-(6-methyl-2-pyridinyl)ethynyl]phenol

2-azido-4-iodo-5-[2-(6-methyl-2-pyridinyl)ethynyl]phenol (PubChem CID 18763152) has the molecular formula C14H9IN4O and a molecular weight of 376.16 g/mol. Its IUPAC name is 2-azido-4-iodo-5-[2-(6-methyl-2-pyridinyl)ethynyl]phenol.

Molecular Properties

Compound Name2-azido-4-iodo-5-[2-(6-methyl-2-pyridinyl)ethynyl]phenol
PubChem CID18763152
Molecular FormulaC14H9IN4O
Molecular Weight376.16 g/mol
Exact Mass375.98
IUPAC Name2-azido-4-iodo-5-[2-(6-methyl-2-pyridinyl)ethynyl]phenol
SMILESCc1cccc(C#Cc2cc(O)c(N=[N+]=[N-])cc2I)n1
InChIInChI=1S/C14H9IN4O/c1-9-3-2-4-11(17-9)6-5-10-7-14(20)13(18-19-16)8-12(10)15/h2-4,7-8,20H,1H3
InChIKeyGODYVRCUBXFSIF-UHFFFAOYSA-N
XLogP4.04
TPSA81.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.16
LogP ≤ 54.04
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-4-iodo-5-[2-(6-methyl-2-pyridinyl)ethynyl]phenol?
The IUPAC name of 2-azido-4-iodo-5-[2-(6-methyl-2-pyridinyl)ethynyl]phenol (CID 18763152) is 2-azido-4-iodo-5-[2-(6-methyl-2-pyridinyl)ethynyl]phenol.
What is the SMILES notation for 2-azido-4-iodo-5-[2-(6-methyl-2-pyridinyl)ethynyl]phenol?
The canonical SMILES for 2-azido-4-iodo-5-[2-(6-methyl-2-pyridinyl)ethynyl]phenol is Cc1cccc(C#Cc2cc(O)c(N=[N+]=[N-])cc2I)n1.
What is the InChIKey of 2-azido-4-iodo-5-[2-(6-methyl-2-pyridinyl)ethynyl]phenol?
The InChIKey is GODYVRCUBXFSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IN4O/c1-9-3-2-4-11(17-9)6-5-10-7-14(20)13(18-19-16)8-12(10)15/h2-4,7-8,20H,1H3.
What are the key properties of 2-azido-4-iodo-5-[2-(6-methyl-2-pyridinyl)ethynyl]phenol?
2-azido-4-iodo-5-[2-(6-methyl-2-pyridinyl)ethynyl]phenol has a molecular weight of 376.16 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4-iodo-5-[2-(6-methyl-2-pyridinyl)ethynyl]phenol is sourced from PubChem (CID 18763152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).