6-[4-methyl-2,6-bis(phosphanyl)phenyl]pyridin-3-ol

C12H13NOP2 — CID 144510885

IUPAC6-[4-methyl-2,6-bis(phosphanyl)phenyl]pyridin-3-ol
SMILESCc1cc(P)c(-c2ccc(O)cn2)c(P)c1
InChIInChI=1S/C12H13NOP2/c1-7-4-10(15)12(11(16)5-7)9-3-2-8(14)6-13-9/h2-6,14H,15-16H2,1H3
InChIKeyHCPMTRBMHYTGSA-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.76
Rot. Bonds1

About 6-[4-methyl-2,6-bis(phosphanyl)phenyl]pyridin-3-ol

6-[4-methyl-2,6-bis(phosphanyl)phenyl]pyridin-3-ol (PubChem CID 144510885) has the molecular formula C12H13NOP2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 6-[4-methyl-2,6-bis(phosphanyl)phenyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[4-methyl-2,6-bis(phosphanyl)phenyl]pyridin-3-ol
PubChem CID144510885
Molecular FormulaC12H13NOP2
Molecular Weight249.19 g/mol
Exact Mass249.05
IUPAC Name6-[4-methyl-2,6-bis(phosphanyl)phenyl]pyridin-3-ol
SMILESCc1cc(P)c(-c2ccc(O)cn2)c(P)c1
InChIInChI=1S/C12H13NOP2/c1-7-4-10(15)12(11(16)5-7)9-3-2-8(14)6-13-9/h2-6,14H,15-16H2,1H3
InChIKeyHCPMTRBMHYTGSA-UHFFFAOYSA-N
XLogP1.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-methyl-2,6-bis(phosphanyl)phenyl]pyridin-3-ol?
The IUPAC name of 6-[4-methyl-2,6-bis(phosphanyl)phenyl]pyridin-3-ol (CID 144510885) is 6-[4-methyl-2,6-bis(phosphanyl)phenyl]pyridin-3-ol.
What is the SMILES notation for 6-[4-methyl-2,6-bis(phosphanyl)phenyl]pyridin-3-ol?
The canonical SMILES for 6-[4-methyl-2,6-bis(phosphanyl)phenyl]pyridin-3-ol is Cc1cc(P)c(-c2ccc(O)cn2)c(P)c1.
What is the InChIKey of 6-[4-methyl-2,6-bis(phosphanyl)phenyl]pyridin-3-ol?
The InChIKey is HCPMTRBMHYTGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOP2/c1-7-4-10(15)12(11(16)5-7)9-3-2-8(14)6-13-9/h2-6,14H,15-16H2,1H3.
What are the key properties of 6-[4-methyl-2,6-bis(phosphanyl)phenyl]pyridin-3-ol?
6-[4-methyl-2,6-bis(phosphanyl)phenyl]pyridin-3-ol has a molecular weight of 249.19 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-methyl-2,6-bis(phosphanyl)phenyl]pyridin-3-ol is sourced from PubChem (CID 144510885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).