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

C12H12FNO2 — CID 23149835

IUPAC4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H12FNO2/c13-11-3-1-9(2-4-11)10-5-7-14(8-6-10)12(15)16/h1-5H,6-8H2,(H,15,16)
InChIKeyDEOYQGPYRAERLZ-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.59
Rot. Bonds1

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

4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 23149835) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID23149835
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C12H12FNO2/c13-11-3-1-9(2-4-11)10-5-7-14(8-6-10)12(15)16/h1-5H,6-8H2,(H,15,16)
InChIKeyDEOYQGPYRAERLZ-UHFFFAOYSA-N
XLogP2.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 120690598
1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxy-4-methylpentan-1-one
CID 177042462
4-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 22397819
(2S)-2-amino-3-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]propanoic acid
CID 141178412
2-[4-[1-(4-fluorobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]-2-methylpropanoic acid
CID 22399096
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 86849606
4-(6-fluoroquinolin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 155270648
(3aR,7aR)-2-[2-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 51511306
4-(3-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 118628523
4-[4-(1-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 151937084
2-(4-benzoylphenoxy)-1-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 112800392
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 112800819

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 23149835) is 4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is O=C(O)N1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is DEOYQGPYRAERLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c13-11-3-1-9(2-4-11)10-5-7-14(8-6-10)12(15)16/h1-5H,6-8H2,(H,15,16).
What are the key properties of 4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 221.23 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 23149835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).