4-(2-fluoro-6-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

C12H12FNO3 — CID 157051129

IUPAC4-(2-fluoro-6-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=C(c2c(O)cccc2F)CC1
InChIInChI=1S/C12H12FNO3/c13-9-2-1-3-10(15)11(9)8-4-6-14(7-5-8)12(16)17/h1-4,15H,5-7H2,(H,16,17)
InChIKeyAAFHOLOCTZEXLT-UHFFFAOYSA-N
MW237.23 g/mol
LogP2.30
Rot. Bonds1

About 4-(2-fluoro-6-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-(2-fluoro-6-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 157051129) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 4-(2-fluoro-6-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluoro-6-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID157051129
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name4-(2-fluoro-6-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=C(c2c(O)cccc2F)CC1
InChIInChI=1S/C12H12FNO3/c13-9-2-1-3-10(15)11(9)8-4-6-14(7-5-8)12(16)17/h1-4,15H,5-7H2,(H,16,17)
InChIKeyAAFHOLOCTZEXLT-UHFFFAOYSA-N
XLogP2.30
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-(2-fluoro-6-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 157051129) is 4-(2-fluoro-6-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-(2-fluoro-6-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-(2-fluoro-6-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is O=C(O)N1CC=C(c2c(O)cccc2F)CC1.
What is the InChIKey of 4-(2-fluoro-6-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is AAFHOLOCTZEXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-9-2-1-3-10(15)11(9)8-4-6-14(7-5-8)12(16)17/h1-4,15H,5-7H2,(H,16,17).
What are the key properties of 4-(2-fluoro-6-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-(2-fluoro-6-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 237.23 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 157051129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).