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

C19H18FNO3 — CID 118207363

IUPAC3-fluoro-4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=C(c2ccc(OCc3ccccc3)cc2)C(F)C1
InChIInChI=1S/C19H18FNO3/c20-18-12-21(19(22)23)11-10-17(18)15-6-8-16(9-7-15)24-13-14-4-2-1-3-5-14/h1-10,18H,11-13H2,(H,22,23)
InChIKeyBESSROHBSMIUKO-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.98
Rot. Bonds4

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

3-fluoro-4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 118207363) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-fluoro-4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID118207363
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name3-fluoro-4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=C(c2ccc(OCc3ccccc3)cc2)C(F)C1
InChIInChI=1S/C19H18FNO3/c20-18-12-21(19(22)23)11-10-17(18)15-6-8-16(9-7-15)24-13-14-4-2-1-3-5-14/h1-10,18H,11-13H2,(H,22,23)
InChIKeyBESSROHBSMIUKO-UHFFFAOYSA-N
XLogP3.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylic acid
CID 91248689
3-hydroxy-4-(4-phenylmethoxyphenyl)sulfanylpyrrolidine-1-carboxylic acid
CID 18425839
(2R)-2-(4-phenylmethoxyphenyl)morpholine-4-carboxylic acid
CID 68617082
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
4-phenylmethoxybenzoyl fluoride
CID 154719359
4-phenylmethoxybenzoic acid
CID 68896574
tert-butyl 3-(4-phenylmethoxybenzoyl)azetidine-1-carboxylate
CID 71014923
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 120656242
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
(4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 155318665
5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2968114
4-acetyl-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 108988713

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 3-fluoro-4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 118207363) is 3-fluoro-4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 3-fluoro-4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is O=C(O)N1CC=C(c2ccc(OCc3ccccc3)cc2)C(F)C1.
What is the InChIKey of 3-fluoro-4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is BESSROHBSMIUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c20-18-12-21(19(22)23)11-10-17(18)15-6-8-16(9-7-15)24-13-14-4-2-1-3-5-14/h1-10,18H,11-13H2,(H,22,23).
What are the key properties of 3-fluoro-4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
3-fluoro-4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 327.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-phenylmethoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 118207363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).