1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine

C16H10F6N2 — CID 156503188

IUPAC1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)c1cc(Cn2ccc3cccnc32)cc(C(F)(F)F)c1
InChIInChI=1S/C16H10F6N2/c17-15(18,19)12-6-10(7-13(8-12)16(20,21)22)9-24-5-3-11-2-1-4-23-14(11)24/h1-8H,9H2
InChIKeyBPNIWZPAASOMJE-UHFFFAOYSA-N
MW344.26 g/mol
LogP5.12
Rot. Bonds2

About 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine

1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine (PubChem CID 156503188) has the molecular formula C16H10F6N2 and a molecular weight of 344.26 g/mol. Its IUPAC name is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine
PubChem CID156503188
Molecular FormulaC16H10F6N2
Molecular Weight344.26 g/mol
Exact Mass344.07
IUPAC Name1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine
SMILESFC(F)(F)c1cc(Cn2ccc3cccnc32)cc(C(F)(F)F)c1
InChIInChI=1S/C16H10F6N2/c17-15(18,19)12-6-10(7-13(8-12)16(20,21)22)9-24-5-3-11-2-1-4-23-14(11)24/h1-8H,9H2
InChIKeyBPNIWZPAASOMJE-UHFFFAOYSA-N
XLogP5.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.26
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine (CID 156503188) is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine is FC(F)(F)c1cc(Cn2ccc3cccnc32)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine?
The InChIKey is BPNIWZPAASOMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N2/c17-15(18,19)12-6-10(7-13(8-12)16(20,21)22)9-24-5-3-11-2-1-4-23-14(11)24/h1-8H,9H2.
What are the key properties of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine?
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine has a molecular weight of 344.26 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 156503188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).