methyl 3-cyano-5-fluoro-2-methoxybenzoate

C10H8FNO3 — CID 134647232

IUPACmethyl 3-cyano-5-fluoro-2-methoxybenzoate
SMILESCOC(=O)c1cc(F)cc(C#N)c1OC
InChIInChI=1S/C10H8FNO3/c1-14-9-6(5-12)3-7(11)4-8(9)10(13)15-2/h3-4H,1-2H3
InChIKeyKAZRGOBYDYZYFC-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.49
Rot. Bonds2

About methyl 3-cyano-5-fluoro-2-methoxybenzoate

methyl 3-cyano-5-fluoro-2-methoxybenzoate (PubChem CID 134647232) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is methyl 3-cyano-5-fluoro-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-cyano-5-fluoro-2-methoxybenzoate
PubChem CID134647232
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Namemethyl 3-cyano-5-fluoro-2-methoxybenzoate
SMILESCOC(=O)c1cc(F)cc(C#N)c1OC
InChIInChI=1S/C10H8FNO3/c1-14-9-6(5-12)3-7(11)4-8(9)10(13)15-2/h3-4H,1-2H3
InChIKeyKAZRGOBYDYZYFC-UHFFFAOYSA-N
XLogP1.49
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-cyano-5-fluoro-2-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-cyano-5-fluoro-2-hydroxybenzoate
CID 130951356
methyl 3-cyano-5-fluoro-2-formylbenzoate
CID 131475033
methyl 3-cyano-5-fluoro-2-nitrobenzoate
CID 134647207
methyl 2-cyano-5-fluoro-3-methylbenzoate
CID 131090914
methyl 3-cyano-4-fluoronaphthalene-1-carboxylate
CID 11806440
dimethyl 5-fluoro-2-methylbenzene-1,3-dicarboxylate
CID 10922200
methyl 4-cyano-2,5-difluorobenzoate;methyl 2,4,5-trifluorobenzoate
CID 66717867
5-cyano-2-methoxy-3-methoxycarbonylbenzoic acid
CID 117100473
methyl 5-bromo-3-cyano-2-(difluoromethoxy)benzoate
CID 171010903
methyl 2,5-dichloro-4-cyanobenzoate
CID 131028079
methyl 2-[(2-cyanoacetyl)amino]-5-fluoro-3-methoxybenzoate
CID 168523640
methyl 2-cyano-4-fluoro-3-methoxybenzoate
CID 134649611

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyano-5-fluoro-2-methoxybenzoate?
The IUPAC name of methyl 3-cyano-5-fluoro-2-methoxybenzoate (CID 134647232) is methyl 3-cyano-5-fluoro-2-methoxybenzoate.
What is the SMILES notation for methyl 3-cyano-5-fluoro-2-methoxybenzoate?
The canonical SMILES for methyl 3-cyano-5-fluoro-2-methoxybenzoate is COC(=O)c1cc(F)cc(C#N)c1OC.
What is the InChIKey of methyl 3-cyano-5-fluoro-2-methoxybenzoate?
The InChIKey is KAZRGOBYDYZYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c1-14-9-6(5-12)3-7(11)4-8(9)10(13)15-2/h3-4H,1-2H3.
What are the key properties of methyl 3-cyano-5-fluoro-2-methoxybenzoate?
methyl 3-cyano-5-fluoro-2-methoxybenzoate has a molecular weight of 209.18 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyano-5-fluoro-2-methoxybenzoate is sourced from PubChem (CID 134647232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).