5-chloro-2,3-dimethoxy-4-methylbenzonitrile

C10H10ClNO2 — CID 117302233

IUPAC5-chloro-2,3-dimethoxy-4-methylbenzonitrile
SMILESCOc1c(C#N)cc(Cl)c(C)c1OC
InChIInChI=1S/C10H10ClNO2/c1-6-8(11)4-7(5-12)10(14-3)9(6)13-2/h4H,1-3H3
InChIKeySLGYZORHLLMQRB-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.54
Rot. Bonds2

About 5-chloro-2,3-dimethoxy-4-methylbenzonitrile

5-chloro-2,3-dimethoxy-4-methylbenzonitrile (PubChem CID 117302233) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 5-chloro-2,3-dimethoxy-4-methylbenzonitrile.

Molecular Properties

Compound Name5-chloro-2,3-dimethoxy-4-methylbenzonitrile
PubChem CID117302233
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name5-chloro-2,3-dimethoxy-4-methylbenzonitrile
SMILESCOc1c(C#N)cc(Cl)c(C)c1OC
InChIInChI=1S/C10H10ClNO2/c1-6-8(11)4-7(5-12)10(14-3)9(6)13-2/h4H,1-3H3
InChIKeySLGYZORHLLMQRB-UHFFFAOYSA-N
XLogP2.54
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2,5-dimethoxy-4-methylbenzonitrile
CID 117302242
2,5-dimethoxy-3,4-dimethylbenzonitrile
CID 117282326
5-amino-3-chloro-2-methoxybenzonitrile
CID 131296171
2,3,4,5-tetramethoxybenzonitrile
CID 71368082
3-chloro-2-methoxybenzonitrile
CID 82652815
4-chloro-2-fluoro-3-methoxy-5-methylbenzonitrile
CID 117288861
5-chloro-4-methylbenzene-1,3-dicarbonitrile
CID 90227177
4-chloro-2,3-dimethoxy-6-methylbenzonitrile
CID 117302239
2-chloro-3-methoxy-4-methylbenzonitrile
CID 117278975
1,5-dichloro-2,4-dimethoxy-3-methylbenzene
CID 58961638
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetonitrile
CID 84781042
5-chloro-4-fluoro-2,3-dimethylbenzonitrile
CID 166921944

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dimethoxy-4-methylbenzonitrile?
The IUPAC name of 5-chloro-2,3-dimethoxy-4-methylbenzonitrile (CID 117302233) is 5-chloro-2,3-dimethoxy-4-methylbenzonitrile.
What is the SMILES notation for 5-chloro-2,3-dimethoxy-4-methylbenzonitrile?
The canonical SMILES for 5-chloro-2,3-dimethoxy-4-methylbenzonitrile is COc1c(C#N)cc(Cl)c(C)c1OC.
What is the InChIKey of 5-chloro-2,3-dimethoxy-4-methylbenzonitrile?
The InChIKey is SLGYZORHLLMQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-6-8(11)4-7(5-12)10(14-3)9(6)13-2/h4H,1-3H3.
What are the key properties of 5-chloro-2,3-dimethoxy-4-methylbenzonitrile?
5-chloro-2,3-dimethoxy-4-methylbenzonitrile has a molecular weight of 211.65 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dimethoxy-4-methylbenzonitrile is sourced from PubChem (CID 117302233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).