5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine

C16H9F3N4 — CID 174781441

IUPAC5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine
SMILESFC(F)(F)c1ccc2c(-c3c[nH]c4ncccc34)ccnc2n1
InChIInChI=1S/C16H9F3N4/c17-16(18,19)13-4-3-11-9(5-7-21-15(11)23-13)12-8-22-14-10(12)2-1-6-20-14/h1-8H,(H,20,22)
InChIKeyMKVNTRJUPPJNOO-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.19
Rot. Bonds1

About 5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine

5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine (PubChem CID 174781441) has the molecular formula C16H9F3N4 and a molecular weight of 314.27 g/mol. Its IUPAC name is 5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine.

Molecular Properties

Compound Name5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine
PubChem CID174781441
Molecular FormulaC16H9F3N4
Molecular Weight314.27 g/mol
Exact Mass314.08
IUPAC Name5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine
SMILESFC(F)(F)c1ccc2c(-c3c[nH]c4ncccc34)ccnc2n1
InChIInChI=1S/C16H9F3N4/c17-16(18,19)13-4-3-11-9(5-7-21-15(11)23-13)12-8-22-14-10(12)2-1-6-20-14/h1-8H,(H,20,22)
InChIKeyMKVNTRJUPPJNOO-UHFFFAOYSA-N
XLogP4.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine?
The IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine (CID 174781441) is 5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine.
What is the SMILES notation for 5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine?
The canonical SMILES for 5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine is FC(F)(F)c1ccc2c(-c3c[nH]c4ncccc34)ccnc2n1.
What is the InChIKey of 5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine?
The InChIKey is MKVNTRJUPPJNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4/c17-16(18,19)13-4-3-11-9(5-7-21-15(11)23-13)12-8-22-14-10(12)2-1-6-20-14/h1-8H,(H,20,22).
What are the key properties of 5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine?
5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine has a molecular weight of 314.27 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-(trifluoromethyl)-1,8-naphthyridine is sourced from PubChem (CID 174781441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).