methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate

C19H14FNO3 — CID 66666760

IUPACmethyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C19H14FNO3/c1-23-19(22)18-4-2-3-17(21-18)13-5-9-15(10-6-13)24-16-11-7-14(20)8-12-16/h2-12H,1H3
InChIKeyTWSINNIWDUXQGU-UHFFFAOYSA-N
MW323.32 g/mol
LogP4.47
Rot. Bonds4

About methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate

methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate (PubChem CID 66666760) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
PubChem CID66666760
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Namemethyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C19H14FNO3/c1-23-19(22)18-4-2-3-17(21-18)13-5-9-15(10-6-13)24-16-11-7-14(20)8-12-16/h2-12H,1H3
InChIKeyTWSINNIWDUXQGU-UHFFFAOYSA-N
XLogP4.47
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-pyridin-4-ylpyridine-2-carboxylate
CID 46317482
N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56643700
2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]ethyl-trimethylazanium formate
CID 71566573
methyl (2S)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]propanoate
CID 66806428
N-[(3S)-7-amino-2-oxoheptan-3-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 118343436
2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
CID 130439433
6-[4-(4-fluorophenoxy)phenyl]pyridin-2-amine
CID 67981445
6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide
CID 59501986
(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-1-hydroxybutan-2-one
CID 121354458
6-[4-(4-fluorophenoxy)phenyl]-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]pyridine-2-carboxamide bromide
CID 71566495
methyl 2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 77402052
methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate
CID 167450972

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate (CID 66666760) is methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate?
The InChIKey is TWSINNIWDUXQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3/c1-23-19(22)18-4-2-3-17(21-18)13-5-9-15(10-6-13)24-16-11-7-14(20)8-12-16/h2-12H,1H3.
What are the key properties of methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate?
methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate has a molecular weight of 323.32 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 66666760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).