cyclohexa-1,5-dien-1-yl-(4-iodothieno[2,3-c]pyridin-2-yl)methanone

C14H10INOS — CID 142031504

IUPACcyclohexa-1,5-dien-1-yl-(4-iodothieno[2,3-c]pyridin-2-yl)methanone
SMILESO=C(C1=CCCC=C1)c1cc2c(I)cncc2s1
InChIInChI=1S/C14H10INOS/c15-11-7-16-8-13-10(11)6-12(18-13)14(17)9-4-2-1-3-5-9/h2,4-8H,1,3H2
InChIKeyMOFCGGAEKCBQSH-UHFFFAOYSA-N
MW367.21 g/mol
LogP4.36
Rot. Bonds2

About cyclohexa-1,5-dien-1-yl-(4-iodothieno[2,3-c]pyridin-2-yl)methanone

cyclohexa-1,5-dien-1-yl-(4-iodothieno[2,3-c]pyridin-2-yl)methanone (PubChem CID 142031504) has the molecular formula C14H10INOS and a molecular weight of 367.21 g/mol. Its IUPAC name is cyclohexa-1,5-dien-1-yl-(4-iodothieno[2,3-c]pyridin-2-yl)methanone.

Molecular Properties

Compound Namecyclohexa-1,5-dien-1-yl-(4-iodothieno[2,3-c]pyridin-2-yl)methanone
PubChem CID142031504
Molecular FormulaC14H10INOS
Molecular Weight367.21 g/mol
Exact Mass366.95
IUPAC Namecyclohexa-1,5-dien-1-yl-(4-iodothieno[2,3-c]pyridin-2-yl)methanone
SMILESO=C(C1=CCCC=C1)c1cc2c(I)cncc2s1
InChIInChI=1S/C14H10INOS/c15-11-7-16-8-13-10(11)6-12(18-13)14(17)9-4-2-1-3-5-9/h2,4-8H,1,3H2
InChIKeyMOFCGGAEKCBQSH-UHFFFAOYSA-N
XLogP4.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-dien-1-yl-(4-iodothieno[2,3-c]pyridin-2-yl)methanone?
The IUPAC name of cyclohexa-1,5-dien-1-yl-(4-iodothieno[2,3-c]pyridin-2-yl)methanone (CID 142031504) is cyclohexa-1,5-dien-1-yl-(4-iodothieno[2,3-c]pyridin-2-yl)methanone.
What is the SMILES notation for cyclohexa-1,5-dien-1-yl-(4-iodothieno[2,3-c]pyridin-2-yl)methanone?
The canonical SMILES for cyclohexa-1,5-dien-1-yl-(4-iodothieno[2,3-c]pyridin-2-yl)methanone is O=C(C1=CCCC=C1)c1cc2c(I)cncc2s1.
What is the InChIKey of cyclohexa-1,5-dien-1-yl-(4-iodothieno[2,3-c]pyridin-2-yl)methanone?
The InChIKey is MOFCGGAEKCBQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10INOS/c15-11-7-16-8-13-10(11)6-12(18-13)14(17)9-4-2-1-3-5-9/h2,4-8H,1,3H2.
What are the key properties of cyclohexa-1,5-dien-1-yl-(4-iodothieno[2,3-c]pyridin-2-yl)methanone?
cyclohexa-1,5-dien-1-yl-(4-iodothieno[2,3-c]pyridin-2-yl)methanone has a molecular weight of 367.21 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-dien-1-yl-(4-iodothieno[2,3-c]pyridin-2-yl)methanone is sourced from PubChem (CID 142031504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).