2-[(2-cyano-3-pyridinyl)methoxy]-3-fluorobenzoic acid

C14H9FN2O3 — CID 115956010

IUPAC2-[(2-cyano-3-pyridinyl)methoxy]-3-fluorobenzoic acid
SMILESN#Cc1ncccc1COc1c(F)cccc1C(=O)O
InChIInChI=1S/C14H9FN2O3/c15-11-5-1-4-10(14(18)19)13(11)20-8-9-3-2-6-17-12(9)7-16/h1-6H,8H2,(H,18,19)
InChIKeyXNYHLYXUNIJMLD-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.37
Rot. Bonds4

About 2-[(2-cyano-3-pyridinyl)methoxy]-3-fluorobenzoic acid

2-[(2-cyano-3-pyridinyl)methoxy]-3-fluorobenzoic acid (PubChem CID 115956010) has the molecular formula C14H9FN2O3 and a molecular weight of 272.24 g/mol. Its IUPAC name is 2-[(2-cyano-3-pyridinyl)methoxy]-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(2-cyano-3-pyridinyl)methoxy]-3-fluorobenzoic acid
PubChem CID115956010
Molecular FormulaC14H9FN2O3
Molecular Weight272.24 g/mol
Exact Mass272.06
IUPAC Name2-[(2-cyano-3-pyridinyl)methoxy]-3-fluorobenzoic acid
SMILESN#Cc1ncccc1COc1c(F)cccc1C(=O)O
InChIInChI=1S/C14H9FN2O3/c15-11-5-1-4-10(14(18)19)13(11)20-8-9-3-2-6-17-12(9)7-16/h1-6H,8H2,(H,18,19)
InChIKeyXNYHLYXUNIJMLD-UHFFFAOYSA-N
XLogP2.37
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2-aminoethyl)-6-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 115957951
3-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridine-2-carbonitrile
CID 103289458
2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid
CID 114930307
4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzoic acid
CID 106954817
5-[(2-cyano-3-pyridinyl)methoxy]pyridine-3-carboxylic acid
CID 63852541
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717
3-bromo-2-[(3-cyano-2-fluorophenyl)methoxy]benzoic acid
CID 107116283
[4-[(2-cyano-3-pyridinyl)methoxy]-2-fluorophenyl]boronic acid
CID 65203522
3-[[2-(2-aminoethyl)-6-bromophenoxy]methyl]pyridine-2-carbonitrile
CID 62894966
3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid
CID 112612232
3-[[2-ethoxy-6-(hydroxymethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894945
(2-cyano-3-pyridinyl)methyl 4-amino-3-fluorobenzoate
CID 62895652

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-3-pyridinyl)methoxy]-3-fluorobenzoic acid?
The IUPAC name of 2-[(2-cyano-3-pyridinyl)methoxy]-3-fluorobenzoic acid (CID 115956010) is 2-[(2-cyano-3-pyridinyl)methoxy]-3-fluorobenzoic acid.
What is the SMILES notation for 2-[(2-cyano-3-pyridinyl)methoxy]-3-fluorobenzoic acid?
The canonical SMILES for 2-[(2-cyano-3-pyridinyl)methoxy]-3-fluorobenzoic acid is N#Cc1ncccc1COc1c(F)cccc1C(=O)O.
What is the InChIKey of 2-[(2-cyano-3-pyridinyl)methoxy]-3-fluorobenzoic acid?
The InChIKey is XNYHLYXUNIJMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3/c15-11-5-1-4-10(14(18)19)13(11)20-8-9-3-2-6-17-12(9)7-16/h1-6H,8H2,(H,18,19).
What are the key properties of 2-[(2-cyano-3-pyridinyl)methoxy]-3-fluorobenzoic acid?
2-[(2-cyano-3-pyridinyl)methoxy]-3-fluorobenzoic acid has a molecular weight of 272.24 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-3-pyridinyl)methoxy]-3-fluorobenzoic acid is sourced from PubChem (CID 115956010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).