[6-(4-methylphenyl)-3-pyridinyl]phosphane

C12H12NP — CID 59609913

IUPAC[6-(4-methylphenyl)-3-pyridinyl]phosphane
SMILESCc1ccc(-c2ccc(P)cn2)cc1
InChIInChI=1S/C12H12NP/c1-9-2-4-10(5-3-9)12-7-6-11(14)8-13-12/h2-8H,14H2,1H3
InChIKeyBCQKSFSRMDMQMF-UHFFFAOYSA-N
MW201.21 g/mol
LogP2.56
Rot. Bonds1

About [6-(4-methylphenyl)-3-pyridinyl]phosphane

[6-(4-methylphenyl)-3-pyridinyl]phosphane (PubChem CID 59609913) has the molecular formula C12H12NP and a molecular weight of 201.21 g/mol. Its IUPAC name is [6-(4-methylphenyl)-3-pyridinyl]phosphane.

Molecular Properties

Compound Name[6-(4-methylphenyl)-3-pyridinyl]phosphane
PubChem CID59609913
Molecular FormulaC12H12NP
Molecular Weight201.21 g/mol
Exact Mass201.07
IUPAC Name[6-(4-methylphenyl)-3-pyridinyl]phosphane
SMILESCc1ccc(-c2ccc(P)cn2)cc1
InChIInChI=1S/C12H12NP/c1-9-2-4-10(5-3-9)12-7-6-11(14)8-13-12/h2-8H,14H2,1H3
InChIKeyBCQKSFSRMDMQMF-UHFFFAOYSA-N
XLogP2.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methylphenyl)-3-pyridinyl]phosphane?
The IUPAC name of [6-(4-methylphenyl)-3-pyridinyl]phosphane (CID 59609913) is [6-(4-methylphenyl)-3-pyridinyl]phosphane.
What is the SMILES notation for [6-(4-methylphenyl)-3-pyridinyl]phosphane?
The canonical SMILES for [6-(4-methylphenyl)-3-pyridinyl]phosphane is Cc1ccc(-c2ccc(P)cn2)cc1.
What is the InChIKey of [6-(4-methylphenyl)-3-pyridinyl]phosphane?
The InChIKey is BCQKSFSRMDMQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12NP/c1-9-2-4-10(5-3-9)12-7-6-11(14)8-13-12/h2-8H,14H2,1H3.
What are the key properties of [6-(4-methylphenyl)-3-pyridinyl]phosphane?
[6-(4-methylphenyl)-3-pyridinyl]phosphane has a molecular weight of 201.21 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylphenyl)-3-pyridinyl]phosphane is sourced from PubChem (CID 59609913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).