ethane;iodo-[4-methyl-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]phosphane

C12H17IN3P — CID 166146206

IUPACethane;iodo-[4-methyl-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]phosphane
SMILESCC.Cc1cccc(-c2c(C)cnn2PI)n1
InChIInChI=1S/C10H11IN3P.C2H6/c1-7-6-12-14(15-11)10(7)9-5-3-4-8(2)13-9;1-2/h3-6,15H,1-2H3;1-2H3
InChIKeyBLPFQQBACBXRJT-UHFFFAOYSA-N
MW361.17 g/mol
LogP4.38
Rot. Bonds2

About ethane;iodo-[4-methyl-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]phosphane

ethane;iodo-[4-methyl-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]phosphane (PubChem CID 166146206) has the molecular formula C12H17IN3P and a molecular weight of 361.17 g/mol. Its IUPAC name is ethane;iodo-[4-methyl-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]phosphane.

Molecular Properties

Compound Nameethane;iodo-[4-methyl-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]phosphane
PubChem CID166146206
Molecular FormulaC12H17IN3P
Molecular Weight361.17 g/mol
Exact Mass361.02
IUPAC Nameethane;iodo-[4-methyl-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]phosphane
SMILESCC.Cc1cccc(-c2c(C)cnn2PI)n1
InChIInChI=1S/C10H11IN3P.C2H6/c1-7-6-12-14(15-11)10(7)9-5-3-4-8(2)13-9;1-2/h3-6,15H,1-2H3;1-2H3
InChIKeyBLPFQQBACBXRJT-UHFFFAOYSA-N
XLogP4.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.17
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methyl-3-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine
CID 167708330
2,6-dimethylpyridine;ethane
CID 54453947
6,7-dimethyl-2,3-bis(6-methyl-2-pyridinyl)quinoxaline
CID 15427002
2-(5-bromo-4-methylpyrazol-1-yl)-6-methylpyridine
CID 67246096
2-methyl-6-(4-methyl-5-thiophen-2-ylpyrazol-1-yl)pyridine
CID 141201596
ethane;2-methyl-6-pyridin-3-ylpyridine
CID 144687863
5-methyl-2-(6-methyl-2-pyridinyl)pyrimidine
CID 170281119
2,6-dimethylpyridine;sulfane
CID 134564621
2-methyl-6-(4-methylthiophen-3-yl)pyridine
CID 58416818
2-methyl-6-(triazol-2-yl)pyridine
CID 46209957
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole
CID 71344812
5-methyl-2-(6-methyl-2-pyridinyl)pyridin-4-amine
CID 67469575

Frequently Asked Questions

What is the IUPAC name of ethane;iodo-[4-methyl-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]phosphane?
The IUPAC name of ethane;iodo-[4-methyl-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]phosphane (CID 166146206) is ethane;iodo-[4-methyl-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]phosphane.
What is the SMILES notation for ethane;iodo-[4-methyl-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]phosphane?
The canonical SMILES for ethane;iodo-[4-methyl-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]phosphane is CC.Cc1cccc(-c2c(C)cnn2PI)n1.
What is the InChIKey of ethane;iodo-[4-methyl-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]phosphane?
The InChIKey is BLPFQQBACBXRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN3P.C2H6/c1-7-6-12-14(15-11)10(7)9-5-3-4-8(2)13-9;1-2/h3-6,15H,1-2H3;1-2H3.
What are the key properties of ethane;iodo-[4-methyl-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]phosphane?
ethane;iodo-[4-methyl-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]phosphane has a molecular weight of 361.17 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;iodo-[4-methyl-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]phosphane is sourced from PubChem (CID 166146206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).