CID 163775092

C11H10ClIN- — CID 163775092

IUPAC—
SMILESC=C1[I-]c2c(Cl)ccc3c2N1CCC3
InChIInChI=1S/C11H10ClIN/c1-7-13-10-9(12)5-4-8-3-2-6-14(7)11(8)10/h4-5H,1-3,6H2/q-1
InChIKeyJYPCCWIEWXFPQE-UHFFFAOYSA-N
MW318.57 g/mol
LogP-0.16
Rot. Bonds

About CID 163775092

CID 163775092 (PubChem CID 163775092) has the molecular formula C11H10ClIN- and a molecular weight of 318.57 g/mol.

Molecular Properties

Compound NameCID 163775092
PubChem CID163775092
Molecular FormulaC11H10ClIN-
Molecular Weight318.57 g/mol
Exact Mass317.96
IUPAC Name—
SMILESC=C1[I-]c2c(Cl)ccc3c2N1CCC3
InChIInChI=1S/C11H10ClIN/c1-7-13-10-9(12)5-4-8-3-2-6-14(7)11(8)10/h4-5H,1-3,6H2/q-1
InChIKeyJYPCCWIEWXFPQE-UHFFFAOYSA-N
XLogP-0.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.57
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 163775092?
The IUPAC name of CID 163775092 (CID 163775092) is not available.
What is the SMILES notation for CID 163775092?
The canonical SMILES for CID 163775092 is C=C1[I-]c2c(Cl)ccc3c2N1CCC3.
What is the InChIKey of CID 163775092?
The InChIKey is JYPCCWIEWXFPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClIN/c1-7-13-10-9(12)5-4-8-3-2-6-14(7)11(8)10/h4-5H,1-3,6H2/q-1.
What are the key properties of CID 163775092?
CID 163775092 has a molecular weight of 318.57 g/mol, XLogP of -0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163775092 is sourced from PubChem (CID 163775092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).