2-fluoro-3-(5-propan-2-yloxy-3-pyridinyl)benzoic acid

C15H14FNO3 — CID 107957496

IUPAC2-fluoro-3-(5-propan-2-yloxy-3-pyridinyl)benzoic acid
SMILESCC(C)Oc1cncc(-c2cccc(C(=O)O)c2F)c1
InChIInChI=1S/C15H14FNO3/c1-9(2)20-11-6-10(7-17-8-11)12-4-3-5-13(14(12)16)15(18)19/h3-9H,1-2H3,(H,18,19)
InChIKeyXVXYNNGUIOGKDO-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.37
Rot. Bonds4

About 2-fluoro-3-(5-propan-2-yloxy-3-pyridinyl)benzoic acid

2-fluoro-3-(5-propan-2-yloxy-3-pyridinyl)benzoic acid (PubChem CID 107957496) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-fluoro-3-(5-propan-2-yloxy-3-pyridinyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-3-(5-propan-2-yloxy-3-pyridinyl)benzoic acid
PubChem CID107957496
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name2-fluoro-3-(5-propan-2-yloxy-3-pyridinyl)benzoic acid
SMILESCC(C)Oc1cncc(-c2cccc(C(=O)O)c2F)c1
InChIInChI=1S/C15H14FNO3/c1-9(2)20-11-6-10(7-17-8-11)12-4-3-5-13(14(12)16)15(18)19/h3-9H,1-2H3,(H,18,19)
InChIKeyXVXYNNGUIOGKDO-UHFFFAOYSA-N
XLogP3.37
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-methoxy-4-(5-propan-2-yloxy-3-pyridinyl)benzoic acid
CID 167806824
2-fluoro-3-(5-fluoro-3-pyridinyl)benzoic acid
CID 107957127
3-[5-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)phenyl]propanoic acid
CID 139019060
2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)benzoic acid
CID 171364605
(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794634
4-(5-propan-2-yloxy-3-pyridinyl)-1,3-dihydroindol-2-one
CID 167982525
2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
CID 115794720
3-[3-[[(2-chloro-4-propan-2-yloxybenzoyl)amino]methyl]-4-methoxyphenyl]-2-fluorobenzoic acid
CID 59219284
2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 103694068
2,5-dichloro-4-(5-propan-2-yloxy-3-pyridinyl)phenol
CID 107663406
3-(1-ethylpyrazol-4-yl)-2-fluorobenzoic acid
CID 107957133
3-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 113242003

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(5-propan-2-yloxy-3-pyridinyl)benzoic acid?
The IUPAC name of 2-fluoro-3-(5-propan-2-yloxy-3-pyridinyl)benzoic acid (CID 107957496) is 2-fluoro-3-(5-propan-2-yloxy-3-pyridinyl)benzoic acid.
What is the SMILES notation for 2-fluoro-3-(5-propan-2-yloxy-3-pyridinyl)benzoic acid?
The canonical SMILES for 2-fluoro-3-(5-propan-2-yloxy-3-pyridinyl)benzoic acid is CC(C)Oc1cncc(-c2cccc(C(=O)O)c2F)c1.
What is the InChIKey of 2-fluoro-3-(5-propan-2-yloxy-3-pyridinyl)benzoic acid?
The InChIKey is XVXYNNGUIOGKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-9(2)20-11-6-10(7-17-8-11)12-4-3-5-13(14(12)16)15(18)19/h3-9H,1-2H3,(H,18,19).
What are the key properties of 2-fluoro-3-(5-propan-2-yloxy-3-pyridinyl)benzoic acid?
2-fluoro-3-(5-propan-2-yloxy-3-pyridinyl)benzoic acid has a molecular weight of 275.28 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(5-propan-2-yloxy-3-pyridinyl)benzoic acid is sourced from PubChem (CID 107957496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).