4-chloro-2-[[6-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine

C15H12ClF3N4O — CID 118443060

IUPAC4-chloro-2-[[6-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine
SMILESCc1nc(Cn2cc3c(Cl)nccc3n2)ccc1OCC(F)(F)F
InChIInChI=1S/C15H12ClF3N4O/c1-9-13(24-8-15(17,18)19)3-2-10(21-9)6-23-7-11-12(22-23)4-5-20-14(11)16/h2-5,7H,6,8H2,1H3
InChIKeyZAIRNVCBFBNEQR-UHFFFAOYSA-N
MW356.74 g/mol
LogP3.78
Rot. Bonds4

About 4-chloro-2-[[6-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine

4-chloro-2-[[6-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine (PubChem CID 118443060) has the molecular formula C15H12ClF3N4O and a molecular weight of 356.74 g/mol. Its IUPAC name is 4-chloro-2-[[6-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-chloro-2-[[6-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine
PubChem CID118443060
Molecular FormulaC15H12ClF3N4O
Molecular Weight356.74 g/mol
Exact Mass356.07
IUPAC Name4-chloro-2-[[6-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine
SMILESCc1nc(Cn2cc3c(Cl)nccc3n2)ccc1OCC(F)(F)F
InChIInChI=1S/C15H12ClF3N4O/c1-9-13(24-8-15(17,18)19)3-2-10(21-9)6-23-7-11-12(22-23)4-5-20-14(11)16/h2-5,7H,6,8H2,1H3
InChIKeyZAIRNVCBFBNEQR-UHFFFAOYSA-N
XLogP3.78
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.74
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[6-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-chloro-2-[[6-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine (CID 118443060) is 4-chloro-2-[[6-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-chloro-2-[[6-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-chloro-2-[[6-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine is Cc1nc(Cn2cc3c(Cl)nccc3n2)ccc1OCC(F)(F)F.
What is the InChIKey of 4-chloro-2-[[6-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine?
The InChIKey is ZAIRNVCBFBNEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N4O/c1-9-13(24-8-15(17,18)19)3-2-10(21-9)6-23-7-11-12(22-23)4-5-20-14(11)16/h2-5,7H,6,8H2,1H3.
What are the key properties of 4-chloro-2-[[6-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine?
4-chloro-2-[[6-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine has a molecular weight of 356.74 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[6-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 118443060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).