dichlorozirconium(2+);[4-methyl-6-(phenylazanidylmethyl)-2-pyridinyl]methyl-phenylazanide

C20H19Cl2N3Zr — CID 59071487

IUPACdichlorozirconium(2+);[4-methyl-6-(phenylazanidylmethyl)-2-pyridinyl]methyl-phenylazanide
SMILESCc1cc(C[N-]c2ccccc2)nc(C[N-]c2ccccc2)c1.Cl[Zr+2]Cl
InChIInChI=1S/C20H19N3.2ClH.Zr/c1-16-12-19(14-21-17-8-4-2-5-9-17)23-20(13-16)15-22-18-10-6-3-7-11-18;;;/h2-13H,14-15H2,1H3;2*1H;/q-2;;;+4/p-2
InChIKeyAVUGHFVERFXGOM-UHFFFAOYSA-L
MW463.52 g/mol
LogP7.18
Rot. Bonds6

About dichlorozirconium(2+);[4-methyl-6-(phenylazanidylmethyl)-2-pyridinyl]methyl-phenylazanide

dichlorozirconium(2+);[4-methyl-6-(phenylazanidylmethyl)-2-pyridinyl]methyl-phenylazanide (PubChem CID 59071487) has the molecular formula C20H19Cl2N3Zr and a molecular weight of 463.52 g/mol. Its IUPAC name is dichlorozirconium(2+);[4-methyl-6-(phenylazanidylmethyl)-2-pyridinyl]methyl-phenylazanide.

Molecular Properties

Compound Namedichlorozirconium(2+);[4-methyl-6-(phenylazanidylmethyl)-2-pyridinyl]methyl-phenylazanide
PubChem CID59071487
Molecular FormulaC20H19Cl2N3Zr
Molecular Weight463.52 g/mol
Exact Mass461.00
IUPAC Namedichlorozirconium(2+);[4-methyl-6-(phenylazanidylmethyl)-2-pyridinyl]methyl-phenylazanide
SMILESCc1cc(C[N-]c2ccccc2)nc(C[N-]c2ccccc2)c1.Cl[Zr+2]Cl
InChIInChI=1S/C20H19N3.2ClH.Zr/c1-16-12-19(14-21-17-8-4-2-5-9-17)23-20(13-16)15-22-18-10-6-3-7-11-18;;;/h2-13H,14-15H2,1H3;2*1H;/q-2;;;+4/p-2
InChIKeyAVUGHFVERFXGOM-UHFFFAOYSA-L
XLogP7.18
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.52
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-diethyl-4-methylpyridine
CID 12595102
2,6-bis(bromomethyl)-4-methylpyridine
CID 119092321
4-methyl-2,6-bis(2H-pyrrol-2-id-1-ylmethyl)pyridine;platinum(2+);triphenylphosphanium
CID 59685583
4-methyl-2,6-dipropylpyridine
CID 13400495
naphthalene;bis(1,3,5-trimethylbenzene)
CID 158615214
4-(3,5-dimethylphenyl)-2,6-diphenylpyridine
CID 132529641
chlorobenzene;1,3,5-trimethylbenzene
CID 160520225
2-ethyl-6-(methoxymethyl)-4-methylpyridine
CID 158347641
3,4-dichloro-2-methylquinoline;platinum
CID 159361617
phenanthrene;toluene
CID 158347700
3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol
CID 63205399
2-[(6-chloro-4-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindole
CID 126572813

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium(2+);[4-methyl-6-(phenylazanidylmethyl)-2-pyridinyl]methyl-phenylazanide?
The IUPAC name of dichlorozirconium(2+);[4-methyl-6-(phenylazanidylmethyl)-2-pyridinyl]methyl-phenylazanide (CID 59071487) is dichlorozirconium(2+);[4-methyl-6-(phenylazanidylmethyl)-2-pyridinyl]methyl-phenylazanide.
What is the SMILES notation for dichlorozirconium(2+);[4-methyl-6-(phenylazanidylmethyl)-2-pyridinyl]methyl-phenylazanide?
The canonical SMILES for dichlorozirconium(2+);[4-methyl-6-(phenylazanidylmethyl)-2-pyridinyl]methyl-phenylazanide is Cc1cc(C[N-]c2ccccc2)nc(C[N-]c2ccccc2)c1.Cl[Zr+2]Cl.
What is the InChIKey of dichlorozirconium(2+);[4-methyl-6-(phenylazanidylmethyl)-2-pyridinyl]methyl-phenylazanide?
The InChIKey is AVUGHFVERFXGOM-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H19N3.2ClH.Zr/c1-16-12-19(14-21-17-8-4-2-5-9-17)23-20(13-16)15-22-18-10-6-3-7-11-18;;;/h2-13H,14-15H2,1H3;2*1H;/q-2;;;+4/p-2.
What are the key properties of dichlorozirconium(2+);[4-methyl-6-(phenylazanidylmethyl)-2-pyridinyl]methyl-phenylazanide?
dichlorozirconium(2+);[4-methyl-6-(phenylazanidylmethyl)-2-pyridinyl]methyl-phenylazanide has a molecular weight of 463.52 g/mol, XLogP of 7.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium(2+);[4-methyl-6-(phenylazanidylmethyl)-2-pyridinyl]methyl-phenylazanide is sourced from PubChem (CID 59071487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).