(2-tert-butyl-4-methyl-5-phosphanyl-3-pyridinyl)phosphane

C10H17NP2 — CID 170057346

IUPAC(2-tert-butyl-4-methyl-5-phosphanyl-3-pyridinyl)phosphane
SMILESCc1c(P)cnc(C(C)(C)C)c1P
InChIInChI=1S/C10H17NP2/c1-6-7(12)5-11-9(8(6)13)10(2,3)4/h5H,12-13H2,1-4H3
InChIKeyHLGWDNTUPPGNQH-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.69
Rot. Bonds

About (2-tert-butyl-4-methyl-5-phosphanyl-3-pyridinyl)phosphane

(2-tert-butyl-4-methyl-5-phosphanyl-3-pyridinyl)phosphane (PubChem CID 170057346) has the molecular formula C10H17NP2 and a molecular weight of 213.20 g/mol. Its IUPAC name is (2-tert-butyl-4-methyl-5-phosphanyl-3-pyridinyl)phosphane.

Molecular Properties

Compound Name(2-tert-butyl-4-methyl-5-phosphanyl-3-pyridinyl)phosphane
PubChem CID170057346
Molecular FormulaC10H17NP2
Molecular Weight213.20 g/mol
Exact Mass213.08
IUPAC Name(2-tert-butyl-4-methyl-5-phosphanyl-3-pyridinyl)phosphane
SMILESCc1c(P)cnc(C(C)(C)C)c1P
InChIInChI=1S/C10H17NP2/c1-6-7(12)5-11-9(8(6)13)10(2,3)4/h5H,12-13H2,1-4H3
InChIKeyHLGWDNTUPPGNQH-UHFFFAOYSA-N
XLogP1.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.69
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 (2-tert-butyl-4-methyl-5-phosphanyl-3-pyridinyl)phosphane?
The IUPAC name of (2-tert-butyl-4-methyl-5-phosphanyl-3-pyridinyl)phosphane (CID 170057346) is (2-tert-butyl-4-methyl-5-phosphanyl-3-pyridinyl)phosphane.
What is the SMILES notation for (2-tert-butyl-4-methyl-5-phosphanyl-3-pyridinyl)phosphane?
The canonical SMILES for (2-tert-butyl-4-methyl-5-phosphanyl-3-pyridinyl)phosphane is Cc1c(P)cnc(C(C)(C)C)c1P.
What is the InChIKey of (2-tert-butyl-4-methyl-5-phosphanyl-3-pyridinyl)phosphane?
The InChIKey is HLGWDNTUPPGNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NP2/c1-6-7(12)5-11-9(8(6)13)10(2,3)4/h5H,12-13H2,1-4H3.
What are the key properties of (2-tert-butyl-4-methyl-5-phosphanyl-3-pyridinyl)phosphane?
(2-tert-butyl-4-methyl-5-phosphanyl-3-pyridinyl)phosphane has a molecular weight of 213.20 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-4-methyl-5-phosphanyl-3-pyridinyl)phosphane is sourced from PubChem (CID 170057346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).