2-(4-chloro-5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-6-methylpyridine

C10H12ClN3 — CID 143061488

IUPAC2-(4-chloro-5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-6-methylpyridine
SMILESCc1cccc(C2=NNC(C)C2Cl)n1
InChIInChI=1S/C10H12ClN3/c1-6-4-3-5-8(12-6)10-9(11)7(2)13-14-10/h3-5,7,9,13H,1-2H3
InChIKeyCVRHKXLSYMELOX-UHFFFAOYSA-N
MW209.68 g/mol
LogP1.69
Rot. Bonds1

About 2-(4-chloro-5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-6-methylpyridine

2-(4-chloro-5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-6-methylpyridine (PubChem CID 143061488) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-6-methylpyridine.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-6-methylpyridine
PubChem CID143061488
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name2-(4-chloro-5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-6-methylpyridine
SMILESCc1cccc(C2=NNC(C)C2Cl)n1
InChIInChI=1S/C10H12ClN3/c1-6-4-3-5-8(12-6)10-9(11)7(2)13-14-10/h3-5,7,9,13H,1-2H3
InChIKeyCVRHKXLSYMELOX-UHFFFAOYSA-N
XLogP1.69
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(3,6-bis(6-methyl-2-pyridinyl)pyridazine);chloronickel
CID 87631405
3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper
CID 69390667
dichloroiron;2-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]pyridine
CID 18719425
2-cyclohepta-1,4,6-trien-1-yl-6-methylpyridine
CID 123370354
2-(6-methyl-2-pyridinyl)-1,3,5-triazine
CID 130153014
4-methyl-2-(6-methyl-2-pyridinyl)-1,4-dihydroimidazol-5-one
CID 106952172
2-[2,4-bis(6-methyl-2-pyridinyl)-1H-imidazol-5-yl]-6-methylpyridine
CID 176548812
2,6-dimethylpyridine;ethane
CID 54453947
2,6-dimethylpyridine;sulfane
CID 134564621
2-methyl-5,6-bis(6-methyl-2-pyridinyl)-2,3-dihydropyrazine
CID 71325625
2,6-dimethylpyridine;trichloroborane
CID 72792978
2,6-dimethylpyridine;tetrachlorotitanium
CID 166444625

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-6-methylpyridine?
The IUPAC name of 2-(4-chloro-5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-6-methylpyridine (CID 143061488) is 2-(4-chloro-5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-6-methylpyridine.
What is the SMILES notation for 2-(4-chloro-5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-6-methylpyridine?
The canonical SMILES for 2-(4-chloro-5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-6-methylpyridine is Cc1cccc(C2=NNC(C)C2Cl)n1.
What is the InChIKey of 2-(4-chloro-5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-6-methylpyridine?
The InChIKey is CVRHKXLSYMELOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-6-4-3-5-8(12-6)10-9(11)7(2)13-14-10/h3-5,7,9,13H,1-2H3.
What are the key properties of 2-(4-chloro-5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-6-methylpyridine?
2-(4-chloro-5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-6-methylpyridine has a molecular weight of 209.68 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-4,5-dihydro-1H-pyrazol-3-yl)-6-methylpyridine is sourced from PubChem (CID 143061488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).