(5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone

C13H7ClINOS — CID 79685663

IUPAC(5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H7ClINOS/c14-8-1-2-11-9(4-8)10(5-16-11)13(17)7-3-12(15)18-6-7/h1-6,16H
InChIKeyPVJWKGAJFQLISG-UHFFFAOYSA-N
MW387.63 g/mol
LogP4.72
Rot. Bonds2

About (5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone

(5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone (PubChem CID 79685663) has the molecular formula C13H7ClINOS and a molecular weight of 387.63 g/mol. Its IUPAC name is (5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone
PubChem CID79685663
Molecular FormulaC13H7ClINOS
Molecular Weight387.63 g/mol
Exact Mass386.90
IUPAC Name(5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone
SMILESO=C(c1csc(I)c1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C13H7ClINOS/c14-8-1-2-11-9(4-8)10(5-16-11)13(17)7-3-12(15)18-6-7/h1-6,16H
InChIKeyPVJWKGAJFQLISG-UHFFFAOYSA-N
XLogP4.72
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.63
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 79685949
(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183
(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
CID 63877670
(4-fluoro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone
CID 82793082
(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
(5-chloro-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101343
(2-bromophenyl)-(5-chloro-1H-indol-3-yl)methanone
CID 55257460
(5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 63878016
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
(5-chloro-1H-indol-3-yl)-(2,4-dibromophenyl)methanone
CID 107949887
6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one
CID 22423715

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone?
The IUPAC name of (5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone (CID 79685663) is (5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone.
What is the SMILES notation for (5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone?
The canonical SMILES for (5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone is O=C(c1csc(I)c1)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of (5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone?
The InChIKey is PVJWKGAJFQLISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClINOS/c14-8-1-2-11-9(4-8)10(5-16-11)13(17)7-3-12(15)18-6-7/h1-6,16H.
What are the key properties of (5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone?
(5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone has a molecular weight of 387.63 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-3-yl)-(5-iodothiophen-3-yl)methanone is sourced from PubChem (CID 79685663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).