methyl 6-[5-(2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate

C18H12FN5O2 — CID 146661814

IUPACmethyl 6-[5-(2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(-c3n[nH]nc3-c3ccccc3F)nc2c1
InChIInChI=1S/C18H12FN5O2/c1-26-18(25)10-8-15-13(20-9-10)6-7-14(21-15)17-16(22-24-23-17)11-4-2-3-5-12(11)19/h2-9H,1H3,(H,22,23,24)
InChIKeyGGIPBHQDUAGRRO-UHFFFAOYSA-N
MW349.33 g/mol
LogP3.01
Rot. Bonds3

About methyl 6-[5-(2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate

methyl 6-[5-(2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate (PubChem CID 146661814) has the molecular formula C18H12FN5O2 and a molecular weight of 349.33 g/mol. Its IUPAC name is methyl 6-[5-(2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[5-(2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate
PubChem CID146661814
Molecular FormulaC18H12FN5O2
Molecular Weight349.33 g/mol
Exact Mass349.10
IUPAC Namemethyl 6-[5-(2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(-c3n[nH]nc3-c3ccccc3F)nc2c1
InChIInChI=1S/C18H12FN5O2/c1-26-18(25)10-8-15-13(20-9-10)6-7-14(21-15)17-16(22-24-23-17)11-4-2-3-5-12(11)19/h2-9H,1H3,(H,22,23,24)
InChIKeyGGIPBHQDUAGRRO-UHFFFAOYSA-N
XLogP3.01
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[2-(5-chloro-2-fluorophenyl)ethynyl]-1,5-naphthyridine-3-carboxylate;methyl 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate
CID 161439057
methyl 2-(2-fluorophenyl)-4-methoxyquinoline-7-carboxylate
CID 169130532
methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate
CID 167450752
methyl 5,6-dioxobenzo[a]phenazine-9-carboxylate
CID 90240452
methyl phenazine-2-carboxylate
CID 617185
methyl 2H-benzotriazole-5-carboxylate
CID 6409672
methyl 2-(2-bromophenyl)quinoline-7-carboxylate
CID 169130575
methyl 3-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
CID 7770897
methyl 6-sulfanylquinoline-3-carboxylate
CID 134532830
methyl 4-fluoro-3-naphthalen-1-ylbenzoate
CID 75488354
methyl 2-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1,3-oxazole-4-carboxylate
CID 146662088
methyl 3-fluoro-1H-pyrrolo[3,2-b]pyridine-6-carboxylate
CID 123135144

Frequently Asked Questions

What is the IUPAC name of methyl 6-[5-(2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate?
The IUPAC name of methyl 6-[5-(2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate (CID 146661814) is methyl 6-[5-(2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[5-(2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 6-[5-(2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate is COC(=O)c1cnc2ccc(-c3n[nH]nc3-c3ccccc3F)nc2c1.
What is the InChIKey of methyl 6-[5-(2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate?
The InChIKey is GGIPBHQDUAGRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O2/c1-26-18(25)10-8-15-13(20-9-10)6-7-14(21-15)17-16(22-24-23-17)11-4-2-3-5-12(11)19/h2-9H,1H3,(H,22,23,24).
What are the key properties of methyl 6-[5-(2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate?
methyl 6-[5-(2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate has a molecular weight of 349.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[5-(2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 146661814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).