methyl 8-(3-cyano-2-fluorophenyl)naphthalene-2-carboxylate

C19H12FNO2 — CID 70227715

IUPACmethyl 8-(3-cyano-2-fluorophenyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cccc(-c3cccc(C#N)c3F)c2c1
InChIInChI=1S/C19H12FNO2/c1-23-19(22)13-9-8-12-4-2-6-15(17(12)10-13)16-7-3-5-14(11-21)18(16)20/h2-10H,1H3
InChIKeyKYTSJIUJLIEMFZ-UHFFFAOYSA-N
MW305.31 g/mol
LogP4.30
Rot. Bonds2

About methyl 8-(3-cyano-2-fluorophenyl)naphthalene-2-carboxylate

methyl 8-(3-cyano-2-fluorophenyl)naphthalene-2-carboxylate (PubChem CID 70227715) has the molecular formula C19H12FNO2 and a molecular weight of 305.31 g/mol. Its IUPAC name is methyl 8-(3-cyano-2-fluorophenyl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-(3-cyano-2-fluorophenyl)naphthalene-2-carboxylate
PubChem CID70227715
Molecular FormulaC19H12FNO2
Molecular Weight305.31 g/mol
Exact Mass305.09
IUPAC Namemethyl 8-(3-cyano-2-fluorophenyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cccc(-c3cccc(C#N)c3F)c2c1
InChIInChI=1S/C19H12FNO2/c1-23-19(22)13-9-8-12-4-2-6-15(17(12)10-13)16-7-3-5-14(11-21)18(16)20/h2-10H,1H3
InChIKeyKYTSJIUJLIEMFZ-UHFFFAOYSA-N
XLogP4.30
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 8-(3-chloro-2-fluorophenyl)naphthalene-2-carboxylate
CID 58553414
methyl 8-(2-fluoro-3-methoxyphenyl)naphthalene-2-carboxylate
CID 58553524
methyl 8-(4-cyano-2-methoxyphenyl)naphthalene-2-carboxylate
CID 58553410
methyl 8-fluoronaphthalene-2-carboxylate
CID 133084151
methyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate
CID 58553228
methyl 8-(2,3-difluoro-6-methoxyphenyl)naphthalene-2-carboxylate
CID 58553526
methyl 8-(5-chloro-2-fluoro-3-pyridinyl)naphthalene-2-carboxylate
CID 58553365
methyl 4-fluoro-3-naphthalen-1-ylbenzoate
CID 75488354
3-(3-cyano-2-fluorophenyl)-2-methoxybenzoic acid
CID 53226109
methyl 3-cyano-2-fluorobenzoate
CID 91882344
methyl 8-chloronaphthalene-2-carboxylate
CID 90487849
methyl 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate
CID 58553628

Frequently Asked Questions

What is the IUPAC name of methyl 8-(3-cyano-2-fluorophenyl)naphthalene-2-carboxylate?
The IUPAC name of methyl 8-(3-cyano-2-fluorophenyl)naphthalene-2-carboxylate (CID 70227715) is methyl 8-(3-cyano-2-fluorophenyl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-(3-cyano-2-fluorophenyl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 8-(3-cyano-2-fluorophenyl)naphthalene-2-carboxylate is COC(=O)c1ccc2cccc(-c3cccc(C#N)c3F)c2c1.
What is the InChIKey of methyl 8-(3-cyano-2-fluorophenyl)naphthalene-2-carboxylate?
The InChIKey is KYTSJIUJLIEMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNO2/c1-23-19(22)13-9-8-12-4-2-6-15(17(12)10-13)16-7-3-5-14(11-21)18(16)20/h2-10H,1H3.
What are the key properties of methyl 8-(3-cyano-2-fluorophenyl)naphthalene-2-carboxylate?
methyl 8-(3-cyano-2-fluorophenyl)naphthalene-2-carboxylate has a molecular weight of 305.31 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(3-cyano-2-fluorophenyl)naphthalene-2-carboxylate is sourced from PubChem (CID 70227715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).