1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazolo[4,5-c]pyridine

C13H8ClF3N4 — CID 19926093

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazolo[4,5-c]pyridine
SMILESCc1nccc2c1cnn2-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H8ClF3N4/c1-7-9-6-20-21(11(9)2-3-18-7)12-10(14)4-8(5-19-12)13(15,16)17/h2-6H,1H3
InChIKeyPTPGARTXFMISQI-UHFFFAOYSA-N
MW312.68 g/mol
LogP3.80
Rot. Bonds1

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazolo[4,5-c]pyridine

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazolo[4,5-c]pyridine (PubChem CID 19926093) has the molecular formula C13H8ClF3N4 and a molecular weight of 312.68 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazolo[4,5-c]pyridine
PubChem CID19926093
Molecular FormulaC13H8ClF3N4
Molecular Weight312.68 g/mol
Exact Mass312.04
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazolo[4,5-c]pyridine
SMILESCc1nccc2c1cnn2-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H8ClF3N4/c1-7-9-6-20-21(11(9)2-3-18-7)12-10(14)4-8(5-19-12)13(15,16)17/h2-6H,1H3
InChIKeyPTPGARTXFMISQI-UHFFFAOYSA-N
XLogP3.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazolo[4,5-c]pyridine?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazolo[4,5-c]pyridine (CID 19926093) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazolo[4,5-c]pyridine is Cc1nccc2c1cnn2-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazolo[4,5-c]pyridine?
The InChIKey is PTPGARTXFMISQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N4/c1-7-9-6-20-21(11(9)2-3-18-7)12-10(14)4-8(5-19-12)13(15,16)17/h2-6H,1H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazolo[4,5-c]pyridine?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazolo[4,5-c]pyridine has a molecular weight of 312.68 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazolo[4,5-c]pyridine is sourced from PubChem (CID 19926093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).