1-chloro-2,6-naphthyridine;1-chloro-6-oxido-2,6-naphthyridin-6-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(2-oxidoisoquinolin-2-ium-5-yl)-1,8-naphthyridine

C75H48BCl2F3N14O4 — CID 157213242

IUPAC1-chloro-2,6-naphthyridine;1-chloro-6-oxido-2,6-naphthyridin-6-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(2-oxidoisoquinolin-2-ium-5-yl)-1,8-naphthyridine
SMILESClc1nccc2cnccc12.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)nccc12.OB(O)c1cc(-c2ccccc2F)nc2ncccc12.[O-][n+]1ccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cccc2c1.[O-][n+]1ccc2c(Cl)nccc2c1
InChIInChI=1S/C23H14FN3O.C22H14FN5.C14H10BFN2O2.C8H5ClN2O.C8H5ClN2/c24-21-9-2-1-6-19(21)22-13-20(18-8-4-11-25-23(18)26-22)17-7-3-5-15-14-27(28)12-10-16(15)17;23-18-6-2-1-4-16(18)19-12-17(15-5-3-9-27-22(15)28-19)20-13-7-11-26-21(24)14(13)8-10-25-20;16-12-6-2-1-4-10(12)13-8-11(15(19)20)9-5-3-7-17-14(9)18-13;9-8-7-2-4-11(12)5-6(7)1-3-10-8;9-8-7-2-3-10-5-6(7)1-4-11-8/h1-14H;1-12H,(H2,24,26);1-8,19-20H;1-5H;1-5H
InChIKeyASCYJWIHYJWVCF-UHFFFAOYSA-N
MW1348.01 g/mol
LogP14.44
Rot. Bonds6

About 1-chloro-2,6-naphthyridine;1-chloro-6-oxido-2,6-naphthyridin-6-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(2-oxidoisoquinolin-2-ium-5-yl)-1,8-naphthyridine

1-chloro-2,6-naphthyridine;1-chloro-6-oxido-2,6-naphthyridin-6-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(2-oxidoisoquinolin-2-ium-5-yl)-1,8-naphthyridine (PubChem CID 157213242) has the molecular formula C75H48BCl2F3N14O4 and a molecular weight of 1348.01 g/mol. Its IUPAC name is 1-chloro-2,6-naphthyridine;1-chloro-6-oxido-2,6-naphthyridin-6-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(2-oxidoisoquinolin-2-ium-5-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name1-chloro-2,6-naphthyridine;1-chloro-6-oxido-2,6-naphthyridin-6-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(2-oxidoisoquinolin-2-ium-5-yl)-1,8-naphthyridine
PubChem CID157213242
Molecular FormulaC75H48BCl2F3N14O4
Molecular Weight1348.01 g/mol
Exact Mass1346.34
IUPAC Name1-chloro-2,6-naphthyridine;1-chloro-6-oxido-2,6-naphthyridin-6-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(2-oxidoisoquinolin-2-ium-5-yl)-1,8-naphthyridine
SMILESClc1nccc2cnccc12.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)nccc12.OB(O)c1cc(-c2ccccc2F)nc2ncccc12.[O-][n+]1ccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cccc2c1.[O-][n+]1ccc2c(Cl)nccc2c1
InChIInChI=1S/C23H14FN3O.C22H14FN5.C14H10BFN2O2.C8H5ClN2O.C8H5ClN2/c24-21-9-2-1-6-19(21)22-13-20(18-8-4-11-25-23(18)26-22)17-7-3-5-15-14-27(28)12-10-16(15)17;23-18-6-2-1-4-16(18)19-12-17(15-5-3-9-27-22(15)28-19)20-13-7-11-26-21(24)14(13)8-10-25-20;16-12-6-2-1-4-10(12)13-8-11(15(19)20)9-5-3-7-17-14(9)18-13;9-8-7-2-4-11(12)5-6(7)1-3-10-8;9-8-7-2-3-10-5-6(7)1-4-11-8/h1-14H;1-12H,(H2,24,26);1-8,19-20H;1-5H;1-5H
InChIKeyASCYJWIHYJWVCF-UHFFFAOYSA-N
XLogP14.44
TPSA262.15 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001348.01
LogP ≤ 514.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-chloro-2,6-naphthyridine;1-chloro-6-oxido-2,6-naphthyridin-6-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(2-oxidoisoquinolin-2-ium-5-yl)-1,8-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,6-naphthyridine;1-chloro-6-oxido-2,6-naphthyridin-6-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(2-oxidoisoquinolin-2-ium-5-yl)-1,8-naphthyridine?
The IUPAC name of 1-chloro-2,6-naphthyridine;1-chloro-6-oxido-2,6-naphthyridin-6-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(2-oxidoisoquinolin-2-ium-5-yl)-1,8-naphthyridine (CID 157213242) is 1-chloro-2,6-naphthyridine;1-chloro-6-oxido-2,6-naphthyridin-6-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(2-oxidoisoquinolin-2-ium-5-yl)-1,8-naphthyridine.
What is the SMILES notation for 1-chloro-2,6-naphthyridine;1-chloro-6-oxido-2,6-naphthyridin-6-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(2-oxidoisoquinolin-2-ium-5-yl)-1,8-naphthyridine?
The canonical SMILES for 1-chloro-2,6-naphthyridine;1-chloro-6-oxido-2,6-naphthyridin-6-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(2-oxidoisoquinolin-2-ium-5-yl)-1,8-naphthyridine is Clc1nccc2cnccc12.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)nccc12.OB(O)c1cc(-c2ccccc2F)nc2ncccc12.[O-][n+]1ccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cccc2c1.[O-][n+]1ccc2c(Cl)nccc2c1.
What is the InChIKey of 1-chloro-2,6-naphthyridine;1-chloro-6-oxido-2,6-naphthyridin-6-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(2-oxidoisoquinolin-2-ium-5-yl)-1,8-naphthyridine?
The InChIKey is ASCYJWIHYJWVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN3O.C22H14FN5.C14H10BFN2O2.C8H5ClN2O.C8H5ClN2/c24-21-9-2-1-6-19(21)22-13-20(18-8-4-11-25-23(18)26-22)17-7-3-5-15-14-27(28)12-10-16(15)17;23-18-6-2-1-4-16(18)19-12-17(15-5-3-9-27-22(15)28-19)20-13-7-11-26-21(24)14(13)8-10-25-20;16-12-6-2-1-4-10(12)13-8-11(15(19)20)9-5-3-7-17-14(9)18-13;9-8-7-2-4-11(12)5-6(7)1-3-10-8;9-8-7-2-3-10-5-6(7)1-4-11-8/h1-14H;1-12H,(H2,24,26);1-8,19-20H;1-5H;1-5H.
What are the key properties of 1-chloro-2,6-naphthyridine;1-chloro-6-oxido-2,6-naphthyridin-6-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(2-oxidoisoquinolin-2-ium-5-yl)-1,8-naphthyridine?
1-chloro-2,6-naphthyridine;1-chloro-6-oxido-2,6-naphthyridin-6-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(2-oxidoisoquinolin-2-ium-5-yl)-1,8-naphthyridine has a molecular weight of 1348.01 g/mol, XLogP of 14.44, 6 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,6-naphthyridine;1-chloro-6-oxido-2,6-naphthyridin-6-ium;[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;2-(2-fluorophenyl)-4-(2-oxidoisoquinolin-2-ium-5-yl)-1,8-naphthyridine is sourced from PubChem (CID 157213242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).