[(3-fluorophenyl)-pyridin-2-ylmethyl] 6-methoxypyridine-2-carboxylate

C19H15FN2O3 — CID 71859545

IUPAC[(3-fluorophenyl)-pyridin-2-ylmethyl] 6-methoxypyridine-2-carboxylate
SMILESCOc1cccc(C(=O)OC(c2cccc(F)c2)c2ccccn2)n1
InChIInChI=1S/C19H15FN2O3/c1-24-17-10-5-9-16(22-17)19(23)25-18(15-8-2-3-11-21-15)13-6-4-7-14(20)12-13/h2-12,18H,1H3
InChIKeyHQOBKUAIZNPNBH-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.57
Rot. Bonds5

About [(3-fluorophenyl)-pyridin-2-ylmethyl] 6-methoxypyridine-2-carboxylate

[(3-fluorophenyl)-pyridin-2-ylmethyl] 6-methoxypyridine-2-carboxylate (PubChem CID 71859545) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is [(3-fluorophenyl)-pyridin-2-ylmethyl] 6-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Name[(3-fluorophenyl)-pyridin-2-ylmethyl] 6-methoxypyridine-2-carboxylate
PubChem CID71859545
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name[(3-fluorophenyl)-pyridin-2-ylmethyl] 6-methoxypyridine-2-carboxylate
SMILESCOc1cccc(C(=O)OC(c2cccc(F)c2)c2ccccn2)n1
InChIInChI=1S/C19H15FN2O3/c1-24-17-10-5-9-16(22-17)19(23)25-18(15-8-2-3-11-21-15)13-6-4-7-14(20)12-13/h2-12,18H,1H3
InChIKeyHQOBKUAIZNPNBH-UHFFFAOYSA-N
XLogP3.57
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3-fluorophenyl)-pyridin-2-ylmethyl] 5-methylthiophene-2-carboxylate
CID 56528272
[(3-fluorophenyl)-pyridin-2-ylmethyl] 3-(4-fluorophenyl)propanoate
CID 56528264
N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-4-methoxypyrimidin-2-amine
CID 133415900
[(3-fluorophenyl)-pyridin-2-ylmethyl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 56528338
[(3-fluorophenyl)-pyridin-2-ylmethyl] 4-phenylbutanoate
CID 56528308
[(3-fluorophenyl)-pyridin-2-ylmethyl] 2-(2-methylindol-1-yl)acetate
CID 56528275
[(3-fluorophenyl)-pyridin-2-ylmethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 56528329
[(3-fluorophenyl)-pyridin-2-ylmethyl] 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 60615686
lithium;[(4-fluorophenyl)-pyridin-2-ylmethyl] acetate;hydroxide
CID 174704336
[phenyl(pyridin-2-yl)methyl] 3-(dimethylamino)benzoate
CID 47020542
N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide
CID 95330210
1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea
CID 95150596

Frequently Asked Questions

What is the IUPAC name of [(3-fluorophenyl)-pyridin-2-ylmethyl] 6-methoxypyridine-2-carboxylate?
The IUPAC name of [(3-fluorophenyl)-pyridin-2-ylmethyl] 6-methoxypyridine-2-carboxylate (CID 71859545) is [(3-fluorophenyl)-pyridin-2-ylmethyl] 6-methoxypyridine-2-carboxylate.
What is the SMILES notation for [(3-fluorophenyl)-pyridin-2-ylmethyl] 6-methoxypyridine-2-carboxylate?
The canonical SMILES for [(3-fluorophenyl)-pyridin-2-ylmethyl] 6-methoxypyridine-2-carboxylate is COc1cccc(C(=O)OC(c2cccc(F)c2)c2ccccn2)n1.
What is the InChIKey of [(3-fluorophenyl)-pyridin-2-ylmethyl] 6-methoxypyridine-2-carboxylate?
The InChIKey is HQOBKUAIZNPNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c1-24-17-10-5-9-16(22-17)19(23)25-18(15-8-2-3-11-21-15)13-6-4-7-14(20)12-13/h2-12,18H,1H3.
What are the key properties of [(3-fluorophenyl)-pyridin-2-ylmethyl] 6-methoxypyridine-2-carboxylate?
[(3-fluorophenyl)-pyridin-2-ylmethyl] 6-methoxypyridine-2-carboxylate has a molecular weight of 338.34 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluorophenyl)-pyridin-2-ylmethyl] 6-methoxypyridine-2-carboxylate is sourced from PubChem (CID 71859545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).