2-(6-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)propanenitrile

C10H9ClN6 — CID 178134647

IUPAC2-(6-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)propanenitrile
SMILESCn1nnc(C(C)(C#N)c2cccc(Cl)n2)n1
InChIInChI=1S/C10H9ClN6/c1-10(6-12,9-14-16-17(2)15-9)7-4-3-5-8(11)13-7/h3-5H,1-2H3
InChIKeyUESBOWLOTGDSLV-UHFFFAOYSA-N
MW248.68 g/mol
LogP1.09
Rot. Bonds2

About 2-(6-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)propanenitrile

2-(6-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)propanenitrile (PubChem CID 178134647) has the molecular formula C10H9ClN6 and a molecular weight of 248.68 g/mol. Its IUPAC name is 2-(6-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)propanenitrile.

Molecular Properties

Compound Name2-(6-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)propanenitrile
PubChem CID178134647
Molecular FormulaC10H9ClN6
Molecular Weight248.68 g/mol
Exact Mass248.06
IUPAC Name2-(6-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)propanenitrile
SMILESCn1nnc(C(C)(C#N)c2cccc(Cl)n2)n1
InChIInChI=1S/C10H9ClN6/c1-10(6-12,9-14-16-17(2)15-9)7-4-3-5-8(11)13-7/h3-5H,1-2H3
InChIKeyUESBOWLOTGDSLV-UHFFFAOYSA-N
XLogP1.09
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(6-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)propanenitrile 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-(6-chloro-2-pyridinyl)-2-(4-methylpyrazol-1-yl)propanenitrile
CID 178134694
5-(2-iodopropan-2-yl)-2-methyltetrazole
CID 163520419
2-chloro-6-(trichloromethyl)pyridine;2-cyanoguanidine
CID 129057148
6-chloro-4-[[6-(2-cyanopropan-2-yl)-2-pyridinyl]amino]pyridazine-3-carboxamide
CID 86689794
6-chloro-2-(2-methyltetrazol-5-yl)pyridin-3-amine
CID 169253634
4-(3-chloropyrazol-1-yl)-2,2-dimethylbutanenitrile
CID 130748530
2-methyl-5-(1,1,3,3,3-pentafluoropropyl)tetrazole
CID 130433476
2-bromo-2-(6-chloro-2-pyridinyl)propanehydrazide
CID 86737685
2-phenyl-2-pyrimidin-2-ylpropanenitrile
CID 54298201
2-(6-chloro-2-pyridinyl)-2-thiophen-2-ylpropanethioamide
CID 54435105
2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)propan-2-ol
CID 58216650
bis(2,6-dichloropyridine);palladium(2+);chloride
CID 71744970

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)propanenitrile?
The IUPAC name of 2-(6-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)propanenitrile (CID 178134647) is 2-(6-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)propanenitrile.
What is the SMILES notation for 2-(6-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)propanenitrile?
The canonical SMILES for 2-(6-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)propanenitrile is Cn1nnc(C(C)(C#N)c2cccc(Cl)n2)n1.
What is the InChIKey of 2-(6-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)propanenitrile?
The InChIKey is UESBOWLOTGDSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6/c1-10(6-12,9-14-16-17(2)15-9)7-4-3-5-8(11)13-7/h3-5H,1-2H3.
What are the key properties of 2-(6-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)propanenitrile?
2-(6-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)propanenitrile has a molecular weight of 248.68 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)propanenitrile is sourced from PubChem (CID 178134647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).