[6-[bis(phosphanyl)amino]-4-methyl-2-pyridinyl]boronic acid

C6H11BN2O2P2 — CID 174032755

IUPAC[6-[bis(phosphanyl)amino]-4-methyl-2-pyridinyl]boronic acid
SMILESCc1cc(B(O)O)nc(N(P)P)c1
InChIInChI=1S/C6H11BN2O2P2/c1-4-2-5(7(10)11)8-6(3-4)9(12)13/h2-3,10-11H,12-13H2,1H3
InChIKeyJVHNZYCHWGICNQ-UHFFFAOYSA-N
MW215.93 g/mol
LogP-0.54
Rot. Bonds2

About [6-[bis(phosphanyl)amino]-4-methyl-2-pyridinyl]boronic acid

[6-[bis(phosphanyl)amino]-4-methyl-2-pyridinyl]boronic acid (PubChem CID 174032755) has the molecular formula C6H11BN2O2P2 and a molecular weight of 215.93 g/mol. Its IUPAC name is [6-[bis(phosphanyl)amino]-4-methyl-2-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-[bis(phosphanyl)amino]-4-methyl-2-pyridinyl]boronic acid
PubChem CID174032755
Molecular FormulaC6H11BN2O2P2
Molecular Weight215.93 g/mol
Exact Mass216.04
IUPAC Name[6-[bis(phosphanyl)amino]-4-methyl-2-pyridinyl]boronic acid
SMILESCc1cc(B(O)O)nc(N(P)P)c1
InChIInChI=1S/C6H11BN2O2P2/c1-4-2-5(7(10)11)8-6(3-4)9(12)13/h2-3,10-11H,12-13H2,1H3
InChIKeyJVHNZYCHWGICNQ-UHFFFAOYSA-N
XLogP-0.54
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.93
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methylboronic acid;tris(1,3,5-trimethylbenzene)
CID 158888379
quinoxalino[2,3-b]quinoxaline;bis((2,4,6-trimethylphenyl)boronic acid)
CID 139125208
2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-ol
CID 116889763
(2,6-dichloro-4-methylphenyl)boronic acid
CID 57497248
(3-fluoro-5-methylphenyl)boronic acid
CID 19261265
(2-hydroxy-3,5-dimethylphenyl)boronic acid
CID 70187206
1-(4,6-dimethyl-2-pyridinyl)-1-sulfanylurea
CID 57254675
(5-amino-6-methylpyrazin-2-yl)boronic acid
CID 167351042
boric acid;tris((3,5-dimethoxyphenyl)phosphane);tetrakis(1,3,5-trimethylbenzene)
CID 175358132
(3-methyl-5-phosphanyloxyphenyl)boronic acid
CID 89339719
6-ethyl-N,N,4-trimethylpyridin-2-amine
CID 58328000
[8-(difluoromethyl)-2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl]boronic acid
CID 177038417

Frequently Asked Questions

What is the IUPAC name of [6-[bis(phosphanyl)amino]-4-methyl-2-pyridinyl]boronic acid?
The IUPAC name of [6-[bis(phosphanyl)amino]-4-methyl-2-pyridinyl]boronic acid (CID 174032755) is [6-[bis(phosphanyl)amino]-4-methyl-2-pyridinyl]boronic acid.
What is the SMILES notation for [6-[bis(phosphanyl)amino]-4-methyl-2-pyridinyl]boronic acid?
The canonical SMILES for [6-[bis(phosphanyl)amino]-4-methyl-2-pyridinyl]boronic acid is Cc1cc(B(O)O)nc(N(P)P)c1.
What is the InChIKey of [6-[bis(phosphanyl)amino]-4-methyl-2-pyridinyl]boronic acid?
The InChIKey is JVHNZYCHWGICNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BN2O2P2/c1-4-2-5(7(10)11)8-6(3-4)9(12)13/h2-3,10-11H,12-13H2,1H3.
What are the key properties of [6-[bis(phosphanyl)amino]-4-methyl-2-pyridinyl]boronic acid?
[6-[bis(phosphanyl)amino]-4-methyl-2-pyridinyl]boronic acid has a molecular weight of 215.93 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[bis(phosphanyl)amino]-4-methyl-2-pyridinyl]boronic acid is sourced from PubChem (CID 174032755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).