6-cyano-3-methoxy-2-methylbenzoyl chloride

C10H8ClNO2 — CID 171026837

IUPAC6-cyano-3-methoxy-2-methylbenzoyl chloride
SMILESCOc1ccc(C#N)c(C(=O)Cl)c1C
InChIInChI=1S/C10H8ClNO2/c1-6-8(14-2)4-3-7(5-12)9(6)10(11)13/h3-4H,1-2H3
InChIKeyUCBMZHSNNBADJK-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.25
Rot. Bonds2

About 6-cyano-3-methoxy-2-methylbenzoyl chloride

6-cyano-3-methoxy-2-methylbenzoyl chloride (PubChem CID 171026837) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 6-cyano-3-methoxy-2-methylbenzoyl chloride.

Molecular Properties

Compound Name6-cyano-3-methoxy-2-methylbenzoyl chloride
PubChem CID171026837
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name6-cyano-3-methoxy-2-methylbenzoyl chloride
SMILESCOc1ccc(C#N)c(C(=O)Cl)c1C
InChIInChI=1S/C10H8ClNO2/c1-6-8(14-2)4-3-7(5-12)9(6)10(11)13/h3-4H,1-2H3
InChIKeyUCBMZHSNNBADJK-UHFFFAOYSA-N
XLogP2.25
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-2-fluoro-6-methoxybenzoyl chloride
CID 171022041
3-cyano-6-methoxy-2-nitrobenzoyl chloride
CID 171027372
3-cyano-6-methoxy-2-methylbenzamide
CID 171026852
2-acetyl-3-chloro-4-methoxybenzonitrile
CID 171003277
4-cyano-3-methoxybenzoyl chloride
CID 45081742
4-methoxy-3-methyl-2-nitrobenzonitrile
CID 58377381
2-(2-bromoacetyl)-3-hydroxy-4-methoxybenzonitrile
CID 171021108
3-chloro-4-methoxy-2-methylbenzonitrile
CID 163388900
6-cyano-2-iodo-3-methoxybenzamide
CID 171025340
2-(2-chloroacetyl)-3-iodo-4-methoxybenzonitrile
CID 171025544
2-acetyl-4-methoxy-3-nitrobenzonitrile
CID 131301575
2-(aminomethyl)-6-cyano-3-methoxybenzoic acid
CID 134651893

Frequently Asked Questions

What is the IUPAC name of 6-cyano-3-methoxy-2-methylbenzoyl chloride?
The IUPAC name of 6-cyano-3-methoxy-2-methylbenzoyl chloride (CID 171026837) is 6-cyano-3-methoxy-2-methylbenzoyl chloride.
What is the SMILES notation for 6-cyano-3-methoxy-2-methylbenzoyl chloride?
The canonical SMILES for 6-cyano-3-methoxy-2-methylbenzoyl chloride is COc1ccc(C#N)c(C(=O)Cl)c1C.
What is the InChIKey of 6-cyano-3-methoxy-2-methylbenzoyl chloride?
The InChIKey is UCBMZHSNNBADJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-6-8(14-2)4-3-7(5-12)9(6)10(11)13/h3-4H,1-2H3.
What are the key properties of 6-cyano-3-methoxy-2-methylbenzoyl chloride?
6-cyano-3-methoxy-2-methylbenzoyl chloride has a molecular weight of 209.63 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-3-methoxy-2-methylbenzoyl chloride is sourced from PubChem (CID 171026837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).