2-chloro-5-propan-2-yl-4H-pyridin-4-ide;yttrium

C8H9ClNY- — CID 176600289

IUPAC2-chloro-5-propan-2-yl-4H-pyridin-4-ide;yttrium
SMILESCC(C)c1[c-]cc(Cl)nc1.[Y]
InChIInChI=1S/C8H9ClN.Y/c1-6(2)7-3-4-8(9)10-5-7;/h4-6H,1-2H3;/q-1;
InChIKeyIGPWMXSHIZKDFY-UHFFFAOYSA-N
MW243.53 g/mol
LogP2.66
Rot. Bonds1

About 2-chloro-5-propan-2-yl-4H-pyridin-4-ide;yttrium

2-chloro-5-propan-2-yl-4H-pyridin-4-ide;yttrium (PubChem CID 176600289) has the molecular formula C8H9ClNY- and a molecular weight of 243.53 g/mol. Its IUPAC name is 2-chloro-5-propan-2-yl-4H-pyridin-4-ide;yttrium.

Molecular Properties

Compound Name2-chloro-5-propan-2-yl-4H-pyridin-4-ide;yttrium
PubChem CID176600289
Molecular FormulaC8H9ClNY-
Molecular Weight243.53 g/mol
Exact Mass242.95
IUPAC Name2-chloro-5-propan-2-yl-4H-pyridin-4-ide;yttrium
SMILESCC(C)c1[c-]cc(Cl)nc1.[Y]
InChIInChI=1S/C8H9ClN.Y/c1-6(2)7-3-4-8(9)10-5-7;/h4-6H,1-2H3;/q-1;
InChIKeyIGPWMXSHIZKDFY-UHFFFAOYSA-N
XLogP2.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.53
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-chloro-5-propan-2-yl-4H-pyridin-4-ide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium
CID 176600372
3-propan-2-yl-4H-pyridin-4-ide;yttrium
CID 58365241
3-chloro-5-propan-2-yl-1,2-oxazole
CID 58942651
2-chloro-5-methylpyridine;1,1-dichloroethane
CID 163849047
2-chloro-5-propan-2-yl-4-propan-2-yloxypyridine
CID 167456388
2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 135179269
2-[1-[(6-chloro-3-pyridinyl)amino]ethyl]benzene-1,3-diol
CID 107711179
5-chloro-2-methyl-4-propan-2-ylpyrimidine
CID 147054546
2-chloro-5-(4-methoxybutan-2-yloxy)pyridine
CID 116500414
propan-2-ylbenzene;yttrium
CID 58365433
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)ethanamine
CID 55275523
2,4-dichloro-5-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridine
CID 116519604

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-yl-4H-pyridin-4-ide;yttrium?
The IUPAC name of 2-chloro-5-propan-2-yl-4H-pyridin-4-ide;yttrium (CID 176600289) is 2-chloro-5-propan-2-yl-4H-pyridin-4-ide;yttrium.
What is the SMILES notation for 2-chloro-5-propan-2-yl-4H-pyridin-4-ide;yttrium?
The canonical SMILES for 2-chloro-5-propan-2-yl-4H-pyridin-4-ide;yttrium is CC(C)c1[c-]cc(Cl)nc1.[Y].
What is the InChIKey of 2-chloro-5-propan-2-yl-4H-pyridin-4-ide;yttrium?
The InChIKey is IGPWMXSHIZKDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN.Y/c1-6(2)7-3-4-8(9)10-5-7;/h4-6H,1-2H3;/q-1;.
What are the key properties of 2-chloro-5-propan-2-yl-4H-pyridin-4-ide;yttrium?
2-chloro-5-propan-2-yl-4H-pyridin-4-ide;yttrium has a molecular weight of 243.53 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-yl-4H-pyridin-4-ide;yttrium is sourced from PubChem (CID 176600289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).