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

C18H11ClFN5O2 — CID 146662075

IUPACmethyl 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(-c3n[nH]nc3-c3cc(Cl)ccc3F)nc2c1
InChIInChI=1S/C18H11ClFN5O2/c1-27-18(26)9-6-15-13(21-8-9)4-5-14(22-15)17-16(23-25-24-17)11-7-10(19)2-3-12(11)20/h2-8H,1H3,(H,23,24,25)
InChIKeyWNEOWAZRTDFVLG-UHFFFAOYSA-N
MW383.77 g/mol
LogP3.66
Rot. Bonds3

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

methyl 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate (PubChem CID 146662075) has the molecular formula C18H11ClFN5O2 and a molecular weight of 383.77 g/mol. Its IUPAC name is methyl 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate
PubChem CID146662075
Molecular FormulaC18H11ClFN5O2
Molecular Weight383.77 g/mol
Exact Mass383.06
IUPAC Namemethyl 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate
SMILESCOC(=O)c1cnc2ccc(-c3n[nH]nc3-c3cc(Cl)ccc3F)nc2c1
InChIInChI=1S/C18H11ClFN5O2/c1-27-18(26)9-6-15-13(21-8-9)4-5-14(22-15)17-16(23-25-24-17)11-7-10(19)2-3-12(11)20/h2-8H,1H3,(H,23,24,25)
InChIKeyWNEOWAZRTDFVLG-UHFFFAOYSA-N
XLogP3.66
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate?
The IUPAC name of methyl 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate (CID 146662075) is methyl 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate is COC(=O)c1cnc2ccc(-c3n[nH]nc3-c3cc(Cl)ccc3F)nc2c1.
What is the InChIKey of methyl 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate?
The InChIKey is WNEOWAZRTDFVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN5O2/c1-27-18(26)9-6-15-13(21-8-9)4-5-14(22-15)17-16(23-25-24-17)11-7-10(19)2-3-12(11)20/h2-8H,1H3,(H,23,24,25).
What are the key properties of methyl 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate?
methyl 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate has a molecular weight of 383.77 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[5-(5-chloro-2-fluorophenyl)-2H-triazol-4-yl]-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 146662075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).