(5-boronothiophen-2-yl)boronic acid;bis(1,8-naphthyridine)

C20H18B2N4O4S — CID 139125199

IUPAC(5-boronothiophen-2-yl)boronic acid;bis(1,8-naphthyridine)
SMILESOB(O)c1ccc(B(O)O)s1.c1cnc2ncccc2c1.c1cnc2ncccc2c1
InChIInChI=1S/2C8H6N2.C4H6B2O4S/c2*1-3-7-4-2-6-10-8(7)9-5-1;7-5(8)3-1-2-4(11-3)6(9)10/h2*1-6H;1-2,7-10H
InChIKeyRXYMIWCBYIXPAJ-UHFFFAOYSA-N
MW432.08 g/mol
LogP0.37
Rot. Bonds2

About (5-boronothiophen-2-yl)boronic acid;bis(1,8-naphthyridine)

(5-boronothiophen-2-yl)boronic acid;bis(1,8-naphthyridine) (PubChem CID 139125199) has the molecular formula C20H18B2N4O4S and a molecular weight of 432.08 g/mol. Its IUPAC name is (5-boronothiophen-2-yl)boronic acid;bis(1,8-naphthyridine).

Molecular Properties

Compound Name(5-boronothiophen-2-yl)boronic acid;bis(1,8-naphthyridine)
PubChem CID139125199
Molecular FormulaC20H18B2N4O4S
Molecular Weight432.08 g/mol
Exact Mass432.12
IUPAC Name(5-boronothiophen-2-yl)boronic acid;bis(1,8-naphthyridine)
SMILESOB(O)c1ccc(B(O)O)s1.c1cnc2ncccc2c1.c1cnc2ncccc2c1
InChIInChI=1S/2C8H6N2.C4H6B2O4S/c2*1-3-7-4-2-6-10-8(7)9-5-1;7-5(8)3-1-2-4(11-3)6(9)10/h2*1-6H;1-2,7-10H
InChIKeyRXYMIWCBYIXPAJ-UHFFFAOYSA-N
XLogP0.37
TPSA132.48 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.08
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Thieno[2,3-c][1,8]naphthyridine
CID 1211811
4-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylpyrido[2,3-d]pyrimidine
CID 45136820
5-Thiophen-3-yl-1,8-naphthyridin-2-amine
CID 172434802
6-Thiophen-3-yl-1,8-naphthyridin-2-amine
CID 172434896
3-Thiophen-3-yl-1,8-naphthyridine
CID 132535078
N-{2-[4-(thiophen-2-yl)piperidin-1-yl]ethyl}pyrido[2,3-d]pyrimidin-4-amine
CID 137948033
Thieno[3,2-c][1,8]naphthyridine
CID 901684
Bis(3-phenyl-1,8-naphthyridin-2-yl)sulfane
CID 134693551
Tris((4-methylsulfanylphenyl)boronic acid);tris(1,8-naphthyridine)
CID 139125017
3-Methyl-2-thiophen-2-yl-1,8-naphthyridine
CID 176424483
2-Thiophen-3-yl-1,8-naphthyridine
CID 176424516
7-(2-thiophen-2-ylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 24731657

Frequently Asked Questions

What is the IUPAC name of (5-boronothiophen-2-yl)boronic acid;bis(1,8-naphthyridine)?
The IUPAC name of (5-boronothiophen-2-yl)boronic acid;bis(1,8-naphthyridine) (CID 139125199) is (5-boronothiophen-2-yl)boronic acid;bis(1,8-naphthyridine).
What is the SMILES notation for (5-boronothiophen-2-yl)boronic acid;bis(1,8-naphthyridine)?
The canonical SMILES for (5-boronothiophen-2-yl)boronic acid;bis(1,8-naphthyridine) is OB(O)c1ccc(B(O)O)s1.c1cnc2ncccc2c1.c1cnc2ncccc2c1.
What is the InChIKey of (5-boronothiophen-2-yl)boronic acid;bis(1,8-naphthyridine)?
The InChIKey is RXYMIWCBYIXPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6N2.C4H6B2O4S/c2*1-3-7-4-2-6-10-8(7)9-5-1;7-5(8)3-1-2-4(11-3)6(9)10/h2*1-6H;1-2,7-10H.
What are the key properties of (5-boronothiophen-2-yl)boronic acid;bis(1,8-naphthyridine)?
(5-boronothiophen-2-yl)boronic acid;bis(1,8-naphthyridine) has a molecular weight of 432.08 g/mol, XLogP of 0.37, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5-boronothiophen-2-yl)boronic acid;bis(1,8-naphthyridine) is sourced from PubChem (CID 139125199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).