3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid

C16H16FNO3 — CID 105379913

IUPAC3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid
SMILESCc1ccc(C(C)C)c(Oc2nccc(C(=O)O)c2F)c1
InChIInChI=1S/C16H16FNO3/c1-9(2)11-5-4-10(3)8-13(11)21-15-14(17)12(16(19)20)6-7-18-15/h4-9H,1-3H3,(H,19,20)
InChIKeyCZRUCBXYSLBAEU-UHFFFAOYSA-N
MW289.31 g/mol
LogP4.14
Rot. Bonds4

About 3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid

3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid (PubChem CID 105379913) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid
PubChem CID105379913
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid
SMILESCc1ccc(C(C)C)c(Oc2nccc(C(=O)O)c2F)c1
InChIInChI=1S/C16H16FNO3/c1-9(2)11-5-4-10(3)8-13(11)21-15-14(17)12(16(19)20)6-7-18-15/h4-9H,1-3H3,(H,19,20)
InChIKeyCZRUCBXYSLBAEU-UHFFFAOYSA-N
XLogP4.14
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)-4-pyridinyl]methanol
CID 105383255
4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine
CID 105383793
3-fluoro-2-(4-methyl-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380037
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzoic acid
CID 63515238
2-(5-fluoro-6-methylpyrimidin-4-yl)oxy-4-methylbenzoic acid
CID 114045786
3-fluoro-2-(3-methoxyphenoxy)pyridine-4-carboxylic acid
CID 105379912
3-fluoro-2-(5-fluoro-2-nitrophenoxy)pyridine-4-carboxylic acid
CID 105380022
3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylic acid
CID 105380111
3-(5-methyl-2-propan-2-ylphenoxy)benzoic acid
CID 63943066
4-[(5-methyl-2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973485
2-methyl-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]imidazole;oxalic acid
CID 2935561
2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid
CID 105380007

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid (CID 105379913) is 3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid is Cc1ccc(C(C)C)c(Oc2nccc(C(=O)O)c2F)c1.
What is the InChIKey of 3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid?
The InChIKey is CZRUCBXYSLBAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-9(2)11-5-4-10(3)8-13(11)21-15-14(17)12(16(19)20)6-7-18-15/h4-9H,1-3H3,(H,19,20).
What are the key properties of 3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid?
3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 105379913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).