5-chloro-4-(chloromethyl)-2-phenyl-1,3-selenazole

C10H7Cl2NSe — CID 139072612

IUPAC5-chloro-4-(chloromethyl)-2-phenyl-1,3-selenazole
SMILESClCc1nc(-c2ccccc2)[se]c1Cl
InChIInChI=1S/C10H7Cl2NSe/c11-6-8-9(12)14-10(13-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyFHDHJSHYHNYZCU-UHFFFAOYSA-N
MW291.04 g/mol
LogP3.20
Rot. Bonds2

About 5-chloro-4-(chloromethyl)-2-phenyl-1,3-selenazole

5-chloro-4-(chloromethyl)-2-phenyl-1,3-selenazole (PubChem CID 139072612) has the molecular formula C10H7Cl2NSe and a molecular weight of 291.04 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-2-phenyl-1,3-selenazole.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-2-phenyl-1,3-selenazole
PubChem CID139072612
Molecular FormulaC10H7Cl2NSe
Molecular Weight291.04 g/mol
Exact Mass290.91
IUPAC Name5-chloro-4-(chloromethyl)-2-phenyl-1,3-selenazole
SMILESClCc1nc(-c2ccccc2)[se]c1Cl
InChIInChI=1S/C10H7Cl2NSe/c11-6-8-9(12)14-10(13-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyFHDHJSHYHNYZCU-UHFFFAOYSA-N
XLogP3.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.04
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(chloromethyl)-6-phenylpyridine
CID 18916594
4-[(4-fluorophenyl)methyl]-2-phenyl-5-phenylselanyl-1,3-selenazole
CID 135000849
3,6-bis(chloromethyl)-4-phenylpyridazine
CID 71493199
2-chloro-6-(chloromethyl)-3-phenylpyridine
CID 19023694
2-chloro-3-(chloromethyl)quinoxaline
CID 119089737
4-chloro-3-(chloromethyl)isoquinoline
CID 12051756
4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 118641046
5-(chloromethyl)-2,4-diphenyl-1,3-thiazole
CID 28709890
4-(chloromethyl)-2-phenyl-5-propan-2-yl-1,3-oxazole
CID 102363467
1,2-dichloroethane;1,4-diphenylbenzene
CID 174576673
2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine
CID 88869157

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-2-phenyl-1,3-selenazole?
The IUPAC name of 5-chloro-4-(chloromethyl)-2-phenyl-1,3-selenazole (CID 139072612) is 5-chloro-4-(chloromethyl)-2-phenyl-1,3-selenazole.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-2-phenyl-1,3-selenazole?
The canonical SMILES for 5-chloro-4-(chloromethyl)-2-phenyl-1,3-selenazole is ClCc1nc(-c2ccccc2)[se]c1Cl.
What is the InChIKey of 5-chloro-4-(chloromethyl)-2-phenyl-1,3-selenazole?
The InChIKey is FHDHJSHYHNYZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NSe/c11-6-8-9(12)14-10(13-8)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 5-chloro-4-(chloromethyl)-2-phenyl-1,3-selenazole?
5-chloro-4-(chloromethyl)-2-phenyl-1,3-selenazole has a molecular weight of 291.04 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-2-phenyl-1,3-selenazole is sourced from PubChem (CID 139072612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).