2-chloro-4-phenylpyridine;2-iodo-4-phenylpyridine

C22H16ClIN2 — CID 158056554

IUPAC2-chloro-4-phenylpyridine;2-iodo-4-phenylpyridine
SMILESClc1cc(-c2ccccc2)ccn1.Ic1cc(-c2ccccc2)ccn1
InChIInChI=1S/C11H8ClN.C11H8IN/c2*12-11-8-10(6-7-13-11)9-4-2-1-3-5-9/h2*1-8H
InChIKeyFKCWTNUPNKLPRA-UHFFFAOYSA-N
MW470.74 g/mol
LogP6.76
Rot. Bonds2

About 2-chloro-4-phenylpyridine;2-iodo-4-phenylpyridine

2-chloro-4-phenylpyridine;2-iodo-4-phenylpyridine (PubChem CID 158056554) has the molecular formula C22H16ClIN2 and a molecular weight of 470.74 g/mol. Its IUPAC name is 2-chloro-4-phenylpyridine;2-iodo-4-phenylpyridine.

Molecular Properties

Compound Name2-chloro-4-phenylpyridine;2-iodo-4-phenylpyridine
PubChem CID158056554
Molecular FormulaC22H16ClIN2
Molecular Weight470.74 g/mol
Exact Mass470.00
IUPAC Name2-chloro-4-phenylpyridine;2-iodo-4-phenylpyridine
SMILESClc1cc(-c2ccccc2)ccn1.Ic1cc(-c2ccccc2)ccn1
InChIInChI=1S/C11H8ClN.C11H8IN/c2*12-11-8-10(6-7-13-11)9-4-2-1-3-5-9/h2*1-8H
InChIKeyFKCWTNUPNKLPRA-UHFFFAOYSA-N
XLogP6.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.74
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(+-)-Chlorpheniramine
CID 2725
Dexchlorpheniramine
CID 33036
(-)-Chlorpheniramine
CID 716121
Benzylviologen
CID 14196
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
7-(6-Chloro-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486336
4-(1,2-Diphenylethyl)pyridine
CID 242919
4,4'-Bipyridinium, 1,1'-dibenzyl-, dichloride
CID 14195
4-(4'-Chlorobenzyl)pyridine
CID 78124
2-Chloro-5-phenylpyridine
CID 2762868
4-(4-Chlorostyryl)pyridine
CID 735607
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenylpyridine;2-iodo-4-phenylpyridine?
The IUPAC name of 2-chloro-4-phenylpyridine;2-iodo-4-phenylpyridine (CID 158056554) is 2-chloro-4-phenylpyridine;2-iodo-4-phenylpyridine.
What is the SMILES notation for 2-chloro-4-phenylpyridine;2-iodo-4-phenylpyridine?
The canonical SMILES for 2-chloro-4-phenylpyridine;2-iodo-4-phenylpyridine is Clc1cc(-c2ccccc2)ccn1.Ic1cc(-c2ccccc2)ccn1.
What is the InChIKey of 2-chloro-4-phenylpyridine;2-iodo-4-phenylpyridine?
The InChIKey is FKCWTNUPNKLPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN.C11H8IN/c2*12-11-8-10(6-7-13-11)9-4-2-1-3-5-9/h2*1-8H.
What are the key properties of 2-chloro-4-phenylpyridine;2-iodo-4-phenylpyridine?
2-chloro-4-phenylpyridine;2-iodo-4-phenylpyridine has a molecular weight of 470.74 g/mol, XLogP of 6.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenylpyridine;2-iodo-4-phenylpyridine is sourced from PubChem (CID 158056554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).