7-chloro-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine

C14H10ClNO2S — CID 170785257

IUPAC7-chloro-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine
SMILESCS(=O)c1ccc(-c2cc3nccc(Cl)c3o2)cc1
InChIInChI=1S/C14H10ClNO2S/c1-19(17)10-4-2-9(3-5-10)13-8-12-14(18-13)11(15)6-7-16-12/h2-8H,1H3
InChIKeyDZDVPODDYBIXSB-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.89
Rot. Bonds2

About 7-chloro-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine

7-chloro-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine (PubChem CID 170785257) has the molecular formula C14H10ClNO2S and a molecular weight of 291.76 g/mol. Its IUPAC name is 7-chloro-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name7-chloro-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine
PubChem CID170785257
Molecular FormulaC14H10ClNO2S
Molecular Weight291.76 g/mol
Exact Mass291.01
IUPAC Name7-chloro-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine
SMILESCS(=O)c1ccc(-c2cc3nccc(Cl)c3o2)cc1
InChIInChI=1S/C14H10ClNO2S/c1-19(17)10-4-2-9(3-5-10)13-8-12-14(18-13)11(15)6-7-16-12/h2-8H,1H3
InChIKeyDZDVPODDYBIXSB-UHFFFAOYSA-N
XLogP3.89
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine?
The IUPAC name of 7-chloro-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine (CID 170785257) is 7-chloro-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine.
What is the SMILES notation for 7-chloro-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine?
The canonical SMILES for 7-chloro-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine is CS(=O)c1ccc(-c2cc3nccc(Cl)c3o2)cc1.
What is the InChIKey of 7-chloro-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine?
The InChIKey is DZDVPODDYBIXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2S/c1-19(17)10-4-2-9(3-5-10)13-8-12-14(18-13)11(15)6-7-16-12/h2-8H,1H3.
What are the key properties of 7-chloro-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine?
7-chloro-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine has a molecular weight of 291.76 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine is sourced from PubChem (CID 170785257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).