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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Related Compounds

5-Fluoro CUMYL-PICA
CID 117650397
1-(2-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 7802604
1-methyl-N-phenyl-1H-indole-3-carboxamide
CID 9038340
Pyrrolopyridine, 26
CID 16720202
Pkn1/2-IN-1
CID 23585102
2-(pyridin-4-yl)-1-(2,2,2-trifluoroethyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585103
1-methyl-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 23585245
N-(2,5-difluorophenyl)-3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanamide
CID 1502163
1-Methyl-alpha-oxo-N-(2-(trifluoromethyl)phenyl)-1H-pyrrole-2-acetamide
CID 3762343
N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 654213
N-(4-methylbenzyl)nicotinamide
CID 825463
7-Phenyl-5,6-dihydro-1,6-naphthyridin-5-one
CID 14713041

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).