5,7-di(propan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine

C14H17F3N2 — CID 176754465

IUPAC5,7-di(propan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)c1cc(C(C)C)c2[nH]cc(C(F)(F)F)c2n1
InChIInChI=1S/C14H17F3N2/c1-7(2)9-5-11(8(3)4)19-13-10(14(15,16)17)6-18-12(9)13/h5-8,18H,1-4H3
InChIKeyYBSIHEQHJWUCLH-UHFFFAOYSA-N
MW270.30 g/mol
LogP4.83
Rot. Bonds2

About 5,7-di(propan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine

5,7-di(propan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine (PubChem CID 176754465) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 5,7-di(propan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5,7-di(propan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
PubChem CID176754465
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name5,7-di(propan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)c1cc(C(C)C)c2[nH]cc(C(F)(F)F)c2n1
InChIInChI=1S/C14H17F3N2/c1-7(2)9-5-11(8(3)4)19-13-10(14(15,16)17)6-18-12(9)13/h5-8,18H,1-4H3
InChIKeyYBSIHEQHJWUCLH-UHFFFAOYSA-N
XLogP4.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-iodo-5,7-di(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 176754448
N-methyl-3-propan-2-yl-8-(trifluoromethyl)quinolin-2-amine
CID 63232729
2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine
CID 59664272
ethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 144749638
4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 82192734
2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 135179269
2-methylsulfanyl-6-propan-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 57336351
11-propan-2-yl-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
CID 42578402
8-chloro-N-methyl-3-propan-2-yl-5-(trifluoromethyl)quinolin-2-amine
CID 63526110
5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 166928332
1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 20613821
3,4,6-tri(propan-2-yl)pyridazine
CID 58164838

Frequently Asked Questions

What is the IUPAC name of 5,7-di(propan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5,7-di(propan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine (CID 176754465) is 5,7-di(propan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5,7-di(propan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5,7-di(propan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine is CC(C)c1cc(C(C)C)c2[nH]cc(C(F)(F)F)c2n1.
What is the InChIKey of 5,7-di(propan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is YBSIHEQHJWUCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c1-7(2)9-5-11(8(3)4)19-13-10(14(15,16)17)6-18-12(9)13/h5-8,18H,1-4H3.
What are the key properties of 5,7-di(propan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine?
5,7-di(propan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 270.30 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-di(propan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 176754465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).