CID 53475174

C14H10IN2 — CID 53475174

IUPAC—
SMILESIc1cnn(-c2ccccc2)c1C1=C[CH]C=C1
InChIInChI=1S/C14H10IN2/c15-13-10-16-17(12-8-2-1-3-9-12)14(13)11-6-4-5-7-11/h1-10H
InChIKeyZHKLWFDUZOJLMW-UHFFFAOYSA-N
MW333.15 g/mol
LogP3.63
Rot. Bonds2

About CID 53475174

CID 53475174 (PubChem CID 53475174) has the molecular formula C14H10IN2 and a molecular weight of 333.15 g/mol.

Molecular Properties

Compound NameCID 53475174
PubChem CID53475174
Molecular FormulaC14H10IN2
Molecular Weight333.15 g/mol
Exact Mass332.99
IUPAC Name—
SMILESIc1cnn(-c2ccccc2)c1C1=C[CH]C=C1
InChIInChI=1S/C14H10IN2/c15-13-10-16-17(12-8-2-1-3-9-12)14(13)11-6-4-5-7-11/h1-10H
InChIKeyZHKLWFDUZOJLMW-UHFFFAOYSA-N
XLogP3.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.15
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 53475174?
The IUPAC name of CID 53475174 (CID 53475174) is not available.
What is the SMILES notation for CID 53475174?
The canonical SMILES for CID 53475174 is Ic1cnn(-c2ccccc2)c1C1=C[CH]C=C1.
What is the InChIKey of CID 53475174?
The InChIKey is ZHKLWFDUZOJLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN2/c15-13-10-16-17(12-8-2-1-3-9-12)14(13)11-6-4-5-7-11/h1-10H.
What are the key properties of CID 53475174?
CID 53475174 has a molecular weight of 333.15 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53475174 is sourced from PubChem (CID 53475174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).