2-chloro-4-methoxy-1-benzofuran-6-carbonitrile

C10H6ClNO2 — CID 126649112

IUPAC2-chloro-4-methoxy-1-benzofuran-6-carbonitrile
SMILESCOc1cc(C#N)cc2oc(Cl)cc12
InChIInChI=1S/C10H6ClNO2/c1-13-8-2-6(5-12)3-9-7(8)4-10(11)14-9/h2-4H,1H3
InChIKeyMTCRAFSLFHMJLU-UHFFFAOYSA-N
MW207.62 g/mol
LogP2.97
Rot. Bonds1

About 2-chloro-4-methoxy-1-benzofuran-6-carbonitrile

2-chloro-4-methoxy-1-benzofuran-6-carbonitrile (PubChem CID 126649112) has the molecular formula C10H6ClNO2 and a molecular weight of 207.62 g/mol. Its IUPAC name is 2-chloro-4-methoxy-1-benzofuran-6-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-methoxy-1-benzofuran-6-carbonitrile
PubChem CID126649112
Molecular FormulaC10H6ClNO2
Molecular Weight207.62 g/mol
Exact Mass207.01
IUPAC Name2-chloro-4-methoxy-1-benzofuran-6-carbonitrile
SMILESCOc1cc(C#N)cc2oc(Cl)cc12
InChIInChI=1S/C10H6ClNO2/c1-13-8-2-6(5-12)3-9-7(8)4-10(11)14-9/h2-4H,1H3
InChIKeyMTCRAFSLFHMJLU-UHFFFAOYSA-N
XLogP2.97
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-1-benzofuran-6-carbonitrile?
The IUPAC name of 2-chloro-4-methoxy-1-benzofuran-6-carbonitrile (CID 126649112) is 2-chloro-4-methoxy-1-benzofuran-6-carbonitrile.
What is the SMILES notation for 2-chloro-4-methoxy-1-benzofuran-6-carbonitrile?
The canonical SMILES for 2-chloro-4-methoxy-1-benzofuran-6-carbonitrile is COc1cc(C#N)cc2oc(Cl)cc12.
What is the InChIKey of 2-chloro-4-methoxy-1-benzofuran-6-carbonitrile?
The InChIKey is MTCRAFSLFHMJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2/c1-13-8-2-6(5-12)3-9-7(8)4-10(11)14-9/h2-4H,1H3.
What are the key properties of 2-chloro-4-methoxy-1-benzofuran-6-carbonitrile?
2-chloro-4-methoxy-1-benzofuran-6-carbonitrile has a molecular weight of 207.62 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-1-benzofuran-6-carbonitrile is sourced from PubChem (CID 126649112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).