2-(4-chloro-5-methyl-1H-pyrazol-3-yl)-6-methylpyridine;2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyridine

C20H21ClN6 — CID 162125152

IUPAC2-(4-chloro-5-methyl-1H-pyrazol-3-yl)-6-methylpyridine;2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyridine
SMILESCc1cccc(-c2cc(C)[nH]n2)n1.Cc1cccc(-c2n[nH]c(C)c2Cl)n1
InChIInChI=1S/C10H10ClN3.C10H11N3/c1-6-4-3-5-8(12-6)10-9(11)7(2)13-14-10;1-7-4-3-5-9(11-7)10-6-8(2)12-13-10/h3-5H,1-2H3,(H,13,14);3-6H,1-2H3,(H,12,13)
InChIKeyZHXQDMRRCGHESZ-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.83
Rot. Bonds2

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

2-(4-chloro-5-methyl-1H-pyrazol-3-yl)-6-methylpyridine;2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyridine (PubChem CID 162125152) has the molecular formula C20H21ClN6 and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-1H-pyrazol-3-yl)-6-methylpyridine;2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyridine.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-1H-pyrazol-3-yl)-6-methylpyridine;2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyridine
PubChem CID162125152
Molecular FormulaC20H21ClN6
Molecular Weight380.88 g/mol
Exact Mass380.15
IUPAC Name2-(4-chloro-5-methyl-1H-pyrazol-3-yl)-6-methylpyridine;2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyridine
SMILESCc1cccc(-c2cc(C)[nH]n2)n1.Cc1cccc(-c2n[nH]c(C)c2Cl)n1
InChIInChI=1S/C10H10ClN3.C10H11N3/c1-6-4-3-5-8(12-6)10-9(11)7(2)13-14-10;1-7-4-3-5-9(11-7)10-6-8(2)12-13-10/h3-5H,1-2H3,(H,13,14);3-6H,1-2H3,(H,12,13)
InChIKeyZHXQDMRRCGHESZ-UHFFFAOYSA-N
XLogP4.83
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dimethyl-1H-pyrazol-3-yl)-6-methylpyridine
CID 147261627
6,7-dimethyl-2,3-bis(6-methyl-2-pyridinyl)quinoxaline
CID 15427002
2,6-bis(5-methyl-1H-pyrazol-3-yl)pyridine;ethanol;terbium(3+);trinitrate
CID 139202430
2-[2,4-bis(6-methyl-2-pyridinyl)-1H-imidazol-5-yl]-6-methylpyridine
CID 176548812
2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine
CID 138453473
2-(5-methyl-1H-pyrazol-3-yl)-6-pyridin-2-yloxypyridine
CID 140729240
3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper
CID 69390667
bis(3,6-bis(6-methyl-2-pyridinyl)pyridazine);chloronickel
CID 87631405
dichloroiron;2-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]pyridine
CID 18719425
3-chloro-2-(5-methyl-1H-pyrazol-3-yl)pyridine
CID 173054440
2-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-2-ylpyridine
CID 110101884
2,4,6-tris[3,5-bis(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 129265668

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-1H-pyrazol-3-yl)-6-methylpyridine;2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyridine?
The IUPAC name of 2-(4-chloro-5-methyl-1H-pyrazol-3-yl)-6-methylpyridine;2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyridine (CID 162125152) is 2-(4-chloro-5-methyl-1H-pyrazol-3-yl)-6-methylpyridine;2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyridine.
What is the SMILES notation for 2-(4-chloro-5-methyl-1H-pyrazol-3-yl)-6-methylpyridine;2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyridine?
The canonical SMILES for 2-(4-chloro-5-methyl-1H-pyrazol-3-yl)-6-methylpyridine;2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyridine is Cc1cccc(-c2cc(C)[nH]n2)n1.Cc1cccc(-c2n[nH]c(C)c2Cl)n1.
What is the InChIKey of 2-(4-chloro-5-methyl-1H-pyrazol-3-yl)-6-methylpyridine;2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyridine?
The InChIKey is ZHXQDMRRCGHESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3.C10H11N3/c1-6-4-3-5-8(12-6)10-9(11)7(2)13-14-10;1-7-4-3-5-9(11-7)10-6-8(2)12-13-10/h3-5H,1-2H3,(H,13,14);3-6H,1-2H3,(H,12,13).
What are the key properties of 2-(4-chloro-5-methyl-1H-pyrazol-3-yl)-6-methylpyridine;2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyridine?
2-(4-chloro-5-methyl-1H-pyrazol-3-yl)-6-methylpyridine;2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyridine has a molecular weight of 380.88 g/mol, XLogP of 4.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-1H-pyrazol-3-yl)-6-methylpyridine;2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyridine is sourced from PubChem (CID 162125152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).