3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine

C10H7ClF3N3 — CID 54945268

IUPAC3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESCc1ccnn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H7ClF3N3/c1-6-2-3-16-17(6)9-8(11)4-7(5-15-9)10(12,13)14/h2-5H,1H3
InChIKeyMXYWDCVFIIWNBH-UHFFFAOYSA-N
MW261.63 g/mol
LogP3.25
Rot. Bonds1

About 3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine

3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 54945268) has the molecular formula C10H7ClF3N3 and a molecular weight of 261.63 g/mol. Its IUPAC name is 3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID54945268
Molecular FormulaC10H7ClF3N3
Molecular Weight261.63 g/mol
Exact Mass261.03
IUPAC Name3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESCc1ccnn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H7ClF3N3/c1-6-2-3-16-17(6)9-8(11)4-7(5-15-9)10(12,13)14/h2-5H,1H3
InChIKeyMXYWDCVFIIWNBH-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 14821018
2-[4-(bromomethyl)-5-methylpyrazol-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 66438811
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol
CID 66439207
3-chloro-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine
CID 1478737
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carbonitrile
CID 3851582
3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine
CID 107447281
3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 61237757
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine
CID 62677167
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-fluorophenyl)-5-methyl-1,2,4-triazol-3-one
CID 4256021
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 87687354
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2,6-difluorophenyl)-5-methyl-1,2,4-triazol-3-one
CID 3708437
3-chloro-2-(3-chloropyrrol-1-yl)-5-(trifluoromethyl)pyridine
CID 54246481

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine (CID 54945268) is 3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine is Cc1ccnn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is MXYWDCVFIIWNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3/c1-6-2-3-16-17(6)9-8(11)4-7(5-15-9)10(12,13)14/h2-5H,1H3.
What are the key properties of 3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 261.63 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 54945268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).