ethane;[3-methyl-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridin-7-yl]methanol

C11H14F3N3O — CID 171503692

IUPACethane;[3-methyl-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridin-7-yl]methanol
SMILESCC.Cc1[nH]nc2c(CO)nc(C(F)(F)F)cc12
InChIInChI=1S/C9H8F3N3O.C2H6/c1-4-5-2-7(9(10,11)12)13-6(3-16)8(5)15-14-4;1-2/h2,16H,3H2,1H3,(H,14,15);1-2H3
InChIKeyCRDIJSCGCISUGX-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.80
Rot. Bonds1

About ethane;[3-methyl-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridin-7-yl]methanol

ethane;[3-methyl-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridin-7-yl]methanol (PubChem CID 171503692) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is ethane;[3-methyl-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridin-7-yl]methanol.

Molecular Properties

Compound Nameethane;[3-methyl-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridin-7-yl]methanol
PubChem CID171503692
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Nameethane;[3-methyl-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridin-7-yl]methanol
SMILESCC.Cc1[nH]nc2c(CO)nc(C(F)(F)F)cc12
InChIInChI=1S/C9H8F3N3O.C2H6/c1-4-5-2-7(9(10,11)12)13-6(3-16)8(5)15-14-4;1-2/h2,16H,3H2,1H3,(H,14,15);1-2H3
InChIKeyCRDIJSCGCISUGX-UHFFFAOYSA-N
XLogP2.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;[3-methyl-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridin-7-yl]methanol?
The IUPAC name of ethane;[3-methyl-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridin-7-yl]methanol (CID 171503692) is ethane;[3-methyl-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridin-7-yl]methanol.
What is the SMILES notation for ethane;[3-methyl-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridin-7-yl]methanol?
The canonical SMILES for ethane;[3-methyl-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridin-7-yl]methanol is CC.Cc1[nH]nc2c(CO)nc(C(F)(F)F)cc12.
What is the InChIKey of ethane;[3-methyl-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridin-7-yl]methanol?
The InChIKey is CRDIJSCGCISUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O.C2H6/c1-4-5-2-7(9(10,11)12)13-6(3-16)8(5)15-14-4;1-2/h2,16H,3H2,1H3,(H,14,15);1-2H3.
What are the key properties of ethane;[3-methyl-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridin-7-yl]methanol?
ethane;[3-methyl-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridin-7-yl]methanol has a molecular weight of 261.25 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-methyl-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridin-7-yl]methanol is sourced from PubChem (CID 171503692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).