carbanide;3-(chloromethyl)-2H-pyridin-2-ide;vanadium;yttrium

C7H8ClNVY-2 — CID 59265010

IUPACcarbanide;3-(chloromethyl)-2H-pyridin-2-ide;vanadium;yttrium
SMILESClCc1[c-]nccc1.[CH3-].[V].[Y]
InChIInChI=1S/C6H5ClN.CH3.V.Y/c7-4-6-2-1-3-8-5-6;;;/h1-3H,4H2;1H3;;/q2*-1;;
InChIKeyDBKZYTWXXMVHEZ-UHFFFAOYSA-N
MW281.45 g/mol
LogP2.07
Rot. Bonds1

About carbanide;3-(chloromethyl)-2H-pyridin-2-ide;vanadium;yttrium

carbanide;3-(chloromethyl)-2H-pyridin-2-ide;vanadium;yttrium (PubChem CID 59265010) has the molecular formula C7H8ClNVY-2 and a molecular weight of 281.45 g/mol. Its IUPAC name is carbanide;3-(chloromethyl)-2H-pyridin-2-ide;vanadium;yttrium.

Molecular Properties

Compound Namecarbanide;3-(chloromethyl)-2H-pyridin-2-ide;vanadium;yttrium
PubChem CID59265010
Molecular FormulaC7H8ClNVY-2
Molecular Weight281.45 g/mol
Exact Mass280.89
IUPAC Namecarbanide;3-(chloromethyl)-2H-pyridin-2-ide;vanadium;yttrium
SMILESClCc1[c-]nccc1.[CH3-].[V].[Y]
InChIInChI=1S/C6H5ClN.CH3.V.Y/c7-4-6-2-1-3-8-5-6;;;/h1-3H,4H2;1H3;;/q2*-1;;
InChIKeyDBKZYTWXXMVHEZ-UHFFFAOYSA-N
XLogP2.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

5-(1-chloroethyl)-2H-pyridin-2-ide;yttrium
CID 59218627
5-(chloromethyl)-2H-pyridin-2-ide;yttrium
CID 59218630
2-Chloro-5-ethenyl-2,3-dihydropyridine
CID 89361625
3-Chloro-4-methyl-2,3-dihydropyridine
CID 89891674
2-Chloro-3-methyl-2,3-dihydropyridine
CID 123436702
(3R)-2-chloro-3-methyl-2,3-dihydropyridine
CID 130254748
(2E)-3-chloro-N,4-dimethylpenta-2,4-dien-1-imine
CID 144929616
(2Z,4E)-6-chloro-N-(1-chloroethyl)-4-methylhepta-2,4,6-trien-1-imine
CID 173803493
2-chloro-3-propylidene-2H-pyridine;hydrochloride
CID 177703678
2-chloro-3-propylidene-2H-pyridine
CID 154037196

Frequently Asked Questions

What is the IUPAC name of carbanide;3-(chloromethyl)-2H-pyridin-2-ide;vanadium;yttrium?
The IUPAC name of carbanide;3-(chloromethyl)-2H-pyridin-2-ide;vanadium;yttrium (CID 59265010) is carbanide;3-(chloromethyl)-2H-pyridin-2-ide;vanadium;yttrium.
What is the SMILES notation for carbanide;3-(chloromethyl)-2H-pyridin-2-ide;vanadium;yttrium?
The canonical SMILES for carbanide;3-(chloromethyl)-2H-pyridin-2-ide;vanadium;yttrium is ClCc1[c-]nccc1.[CH3-].[V].[Y].
What is the InChIKey of carbanide;3-(chloromethyl)-2H-pyridin-2-ide;vanadium;yttrium?
The InChIKey is DBKZYTWXXMVHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN.CH3.V.Y/c7-4-6-2-1-3-8-5-6;;;/h1-3H,4H2;1H3;;/q2*-1;;.
What are the key properties of carbanide;3-(chloromethyl)-2H-pyridin-2-ide;vanadium;yttrium?
carbanide;3-(chloromethyl)-2H-pyridin-2-ide;vanadium;yttrium has a molecular weight of 281.45 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-(chloromethyl)-2H-pyridin-2-ide;vanadium;yttrium is sourced from PubChem (CID 59265010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).