5-(5-chloro-2-methylphenyl)furan-2-carbonitrile

C12H8ClNO — CID 82113987

IUPAC5-(5-chloro-2-methylphenyl)furan-2-carbonitrile
SMILESCc1ccc(Cl)cc1-c1ccc(C#N)o1
InChIInChI=1S/C12H8ClNO/c1-8-2-3-9(13)6-11(8)12-5-4-10(7-14)15-12/h2-6H,1H3
InChIKeyICTWKQRUSKVZTP-UHFFFAOYSA-N
MW217.65 g/mol
LogP3.78
Rot. Bonds1

About 5-(5-chloro-2-methylphenyl)furan-2-carbonitrile

5-(5-chloro-2-methylphenyl)furan-2-carbonitrile (PubChem CID 82113987) has the molecular formula C12H8ClNO and a molecular weight of 217.65 g/mol. Its IUPAC name is 5-(5-chloro-2-methylphenyl)furan-2-carbonitrile.

Molecular Properties

Compound Name5-(5-chloro-2-methylphenyl)furan-2-carbonitrile
PubChem CID82113987
Molecular FormulaC12H8ClNO
Molecular Weight217.65 g/mol
Exact Mass217.03
IUPAC Name5-(5-chloro-2-methylphenyl)furan-2-carbonitrile
SMILESCc1ccc(Cl)cc1-c1ccc(C#N)o1
InChIInChI=1S/C12H8ClNO/c1-8-2-3-9(13)6-11(8)12-5-4-10(7-14)15-12/h2-6H,1H3
InChIKeyICTWKQRUSKVZTP-UHFFFAOYSA-N
XLogP3.78
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methylphenyl)furan-2-carbonitrile?
The IUPAC name of 5-(5-chloro-2-methylphenyl)furan-2-carbonitrile (CID 82113987) is 5-(5-chloro-2-methylphenyl)furan-2-carbonitrile.
What is the SMILES notation for 5-(5-chloro-2-methylphenyl)furan-2-carbonitrile?
The canonical SMILES for 5-(5-chloro-2-methylphenyl)furan-2-carbonitrile is Cc1ccc(Cl)cc1-c1ccc(C#N)o1.
What is the InChIKey of 5-(5-chloro-2-methylphenyl)furan-2-carbonitrile?
The InChIKey is ICTWKQRUSKVZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO/c1-8-2-3-9(13)6-11(8)12-5-4-10(7-14)15-12/h2-6H,1H3.
What are the key properties of 5-(5-chloro-2-methylphenyl)furan-2-carbonitrile?
5-(5-chloro-2-methylphenyl)furan-2-carbonitrile has a molecular weight of 217.65 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methylphenyl)furan-2-carbonitrile is sourced from PubChem (CID 82113987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).