2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine

C11H8Cl2F3N3 — CID 102716265

IUPAC2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
SMILESCc1nn(-c2cc(C(F)(F)F)cc(Cl)n2)c(C)c1Cl
InChIInChI=1S/C11H8Cl2F3N3/c1-5-10(13)6(2)19(18-5)9-4-7(11(14,15)16)3-8(12)17-9/h3-4H,1-2H3
InChIKeySKXCXIPFOJNRIE-UHFFFAOYSA-N
MW310.11 g/mol
LogP4.21
Rot. Bonds1

About 2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine

2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine (PubChem CID 102716265) has the molecular formula C11H8Cl2F3N3 and a molecular weight of 310.11 g/mol. Its IUPAC name is 2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
PubChem CID102716265
Molecular FormulaC11H8Cl2F3N3
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC Name2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
SMILESCc1nn(-c2cc(C(F)(F)F)cc(Cl)n2)c(C)c1Cl
InChIInChI=1S/C11H8Cl2F3N3/c1-5-10(13)6(2)19(18-5)9-4-7(11(14,15)16)3-8(12)17-9/h3-4H,1-2H3
InChIKeySKXCXIPFOJNRIE-UHFFFAOYSA-N
XLogP4.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine
CID 102716260
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine
CID 102716266
4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106768572
2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 102716261
[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine
CID 62130850
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 80856712
6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-3-carbonitrile
CID 62129175
2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine
CID 102715411
6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridine-2,3-diamine
CID 79825439
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 66328894
[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 62130684
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethenyl-3,5-dimethylpyrazole
CID 21188130

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine (CID 102716265) is 2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine is Cc1nn(-c2cc(C(F)(F)F)cc(Cl)n2)c(C)c1Cl.
What is the InChIKey of 2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine?
The InChIKey is SKXCXIPFOJNRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N3/c1-5-10(13)6(2)19(18-5)9-4-7(11(14,15)16)3-8(12)17-9/h3-4H,1-2H3.
What are the key properties of 2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine?
2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine has a molecular weight of 310.11 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102716265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).