1-ethyl-6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-c]pyridin-4-one

C16H13F3N2O — CID 72549196

IUPAC1-ethyl-6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCn1ccc2c(=O)[nH]c(-c3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C16H13F3N2O/c1-2-21-8-7-12-14(21)9-13(20-15(12)22)10-3-5-11(6-4-10)16(17,18)19/h3-9H,2H2,1H3,(H,20,22)
InChIKeyRRWOVPYFDPQQBO-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.04
Rot. Bonds2

About 1-ethyl-6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-c]pyridin-4-one

1-ethyl-6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 72549196) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is 1-ethyl-6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1-ethyl-6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID72549196
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name1-ethyl-6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCn1ccc2c(=O)[nH]c(-c3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C16H13F3N2O/c1-2-21-8-7-12-14(21)9-13(20-15(12)22)10-3-5-11(6-4-10)16(17,18)19/h3-9H,2H2,1H3,(H,20,22)
InChIKeyRRWOVPYFDPQQBO-UHFFFAOYSA-N
XLogP4.04
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 1-ethyl-6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-c]pyridin-4-one (CID 72549196) is 1-ethyl-6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 1-ethyl-6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 1-ethyl-6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-c]pyridin-4-one is CCn1ccc2c(=O)[nH]c(-c3ccc(C(F)(F)F)cc3)cc21.
What is the InChIKey of 1-ethyl-6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is RRWOVPYFDPQQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c1-2-21-8-7-12-14(21)9-13(20-15(12)22)10-3-5-11(6-4-10)16(17,18)19/h3-9H,2H2,1H3,(H,20,22).
What are the key properties of 1-ethyl-6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-c]pyridin-4-one?
1-ethyl-6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 306.29 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[4-(trifluoromethyl)phenyl]-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 72549196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).