2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorobenzoic acid

C15H14FNO2 — CID 79740577

IUPAC2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorobenzoic acid
SMILESCCc1ccc(Cc2ccc(F)cc2C(=O)O)nc1
InChIInChI=1S/C15H14FNO2/c1-2-10-3-6-13(17-9-10)7-11-4-5-12(16)8-14(11)15(18)19/h3-6,8-9H,2,7H2,1H3,(H,18,19)
InChIKeyIMJXIAWDJYEMOU-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.07
Rot. Bonds4

About 2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorobenzoic acid

2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorobenzoic acid (PubChem CID 79740577) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorobenzoic acid
PubChem CID79740577
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorobenzoic acid
SMILESCCc1ccc(Cc2ccc(F)cc2C(=O)O)nc1
InChIInChI=1S/C15H14FNO2/c1-2-10-3-6-13(17-9-10)7-11-4-5-12(16)8-14(11)15(18)19/h3-6,8-9H,2,7H2,1H3,(H,18,19)
InChIKeyIMJXIAWDJYEMOU-UHFFFAOYSA-N
XLogP3.07
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorophenol
CID 83129957
2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid
CID 79740576
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273317
2-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]-5-methylbenzoic acid
CID 58415864
2-(5-ethyl-2-pyridinyl)-1-(2-fluorophenyl)ethanone
CID 79746106
N-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine
CID 79740597
1-(2-chloro-4-fluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79745107
2-ethyl-4-fluorobenzoic acid
CID 22101376
2-[(4-ethylphenoxy)methyl]-4-fluorobenzoic acid
CID 107908458
5-methyl-2-[[6-(2,3,6-trifluorophenyl)-3-pyridinyl]methyl]benzoic acid
CID 58415794
5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]aniline
CID 81275485
5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde
CID 79739852

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorobenzoic acid?
The IUPAC name of 2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorobenzoic acid (CID 79740577) is 2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorobenzoic acid is CCc1ccc(Cc2ccc(F)cc2C(=O)O)nc1.
What is the InChIKey of 2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorobenzoic acid?
The InChIKey is IMJXIAWDJYEMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-2-10-3-6-13(17-9-10)7-11-4-5-12(16)8-14(11)15(18)19/h3-6,8-9H,2,7H2,1H3,(H,18,19).
What are the key properties of 2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorobenzoic acid?
2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorobenzoic acid has a molecular weight of 259.28 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2-pyridinyl)methyl]-5-fluorobenzoic acid is sourced from PubChem (CID 79740577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).