2-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine

C10H7ClF3N3 — CID 70967647

IUPAC2-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine
SMILESCn1nc(-c2ccccn2)c(Cl)c1C(F)(F)F
InChIInChI=1S/C10H7ClF3N3/c1-17-9(10(12,13)14)7(11)8(16-17)6-4-2-3-5-15-6/h2-5H,1H3
InChIKeyZHYMVYZTYLFZOL-UHFFFAOYSA-N
MW261.63 g/mol
LogP3.15
Rot. Bonds1

About 2-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine

2-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine (PubChem CID 70967647) has the molecular formula C10H7ClF3N3 and a molecular weight of 261.63 g/mol. Its IUPAC name is 2-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine
PubChem CID70967647
Molecular FormulaC10H7ClF3N3
Molecular Weight261.63 g/mol
Exact Mass261.03
IUPAC Name2-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine
SMILESCn1nc(-c2ccccn2)c(Cl)c1C(F)(F)F
InChIInChI=1S/C10H7ClF3N3/c1-17-9(10(12,13)14)7(11)8(16-17)6-4-2-3-5-15-6/h2-5H,1H3
InChIKeyZHYMVYZTYLFZOL-UHFFFAOYSA-N
XLogP3.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.63
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine?
The IUPAC name of 2-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine (CID 70967647) is 2-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine?
The canonical SMILES for 2-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine is Cn1nc(-c2ccccn2)c(Cl)c1C(F)(F)F.
What is the InChIKey of 2-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine?
The InChIKey is ZHYMVYZTYLFZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3/c1-17-9(10(12,13)14)7(11)8(16-17)6-4-2-3-5-15-6/h2-5H,1H3.
What are the key properties of 2-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine?
2-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine has a molecular weight of 261.63 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 70967647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).