3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid

C13H9F2NO3 — CID 63097860

IUPAC3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1COc1cccc(F)c1F
InChIInChI=1S/C13H9F2NO3/c14-9-4-1-5-10(11(9)15)19-7-8-3-2-6-16-12(8)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyDCPGSMFCIRRALY-UHFFFAOYSA-N
MW265.22 g/mol
LogP2.64
Rot. Bonds4

About 3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid

3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid (PubChem CID 63097860) has the molecular formula C13H9F2NO3 and a molecular weight of 265.22 g/mol. Its IUPAC name is 3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid
PubChem CID63097860
Molecular FormulaC13H9F2NO3
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1COc1cccc(F)c1F
InChIInChI=1S/C13H9F2NO3/c14-9-4-1-5-10(11(9)15)19-7-8-3-2-6-16-12(8)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyDCPGSMFCIRRALY-UHFFFAOYSA-N
XLogP2.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074333
3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306
3-[(5-chloro-2-fluorophenyl)methoxy]pyridine-2-carboxylic acid
CID 103046281
3-(naphthalen-1-ylmethoxy)pyridine-2-carboxylic acid
CID 61380024
2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid
CID 80742274
3-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 79407875
3-(prop-2-ynoxymethyl)pyridine-2-carboxylic acid
CID 63073065
3-[(3-bromo-5-fluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 81325707
3-[(2-chloro-5-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074336
3-[[4-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 63073121
3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
CID 162141376

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid (CID 63097860) is 3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid is O=C(O)c1ncccc1COc1cccc(F)c1F.
What is the InChIKey of 3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is DCPGSMFCIRRALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c14-9-4-1-5-10(11(9)15)19-7-8-3-2-6-16-12(8)13(17)18/h1-6H,7H2,(H,17,18).
What are the key properties of 3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid?
3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid has a molecular weight of 265.22 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 63097860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).