2-(hydroxymethyl)-4-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one

C9H7F3N2O2 — CID 172581062

IUPAC2-(hydroxymethyl)-4-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
SMILESO=c1[nH]cc(C(F)(F)F)c2cc(CO)[nH]c12
InChIInChI=1S/C9H7F3N2O2/c10-9(11,12)6-2-13-8(16)7-5(6)1-4(3-15)14-7/h1-2,14-15H,3H2,(H,13,16)
InChIKeyKSOJHZFEBDTPCO-UHFFFAOYSA-N
MW232.16 g/mol
LogP1.37
Rot. Bonds1

About 2-(hydroxymethyl)-4-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one

2-(hydroxymethyl)-4-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one (PubChem CID 172581062) has the molecular formula C9H7F3N2O2 and a molecular weight of 232.16 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
PubChem CID172581062
Molecular FormulaC9H7F3N2O2
Molecular Weight232.16 g/mol
Exact Mass232.05
IUPAC Name2-(hydroxymethyl)-4-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one
SMILESO=c1[nH]cc(C(F)(F)F)c2cc(CO)[nH]c12
InChIInChI=1S/C9H7F3N2O2/c10-9(11,12)6-2-13-8(16)7-5(6)1-4(3-15)14-7/h1-2,14-15H,3H2,(H,13,16)
InChIKeyKSOJHZFEBDTPCO-UHFFFAOYSA-N
XLogP1.37
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-1H-pyrrolo(3,2-c)pyridine-2-carboxylic acid
CID 82410220
6-(hydroxymethyl)-4-methyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]pyridine-2-carboxamide
CID 57974687
3-methyl-5-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid
CID 83668760
5-methyl-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid
CID 84014478
6-hydroxymethyl-3-(4-trifluoromethyl-phenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 86706661
5-[[[2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethyl]amino]methyl]-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid
CID 141185080
5-[[4-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1,3-oxazol-3-yl]methyl]-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid
CID 141185098
ethyl 5-(aminomethyl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylate
CID 141185099
5-[(E)-2-phenylethenyl]-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid
CID 141269493
5-(fluoromethyl)-4-[(2E)-3-fluoropenta-2,4-dienyl]-1H-pyrrole-2-carboxylic acid
CID 142936259
5-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-3-(trifluoromethyl)-1H-pyrrole-2-carboxylic acid;ethyl formate;methane
CID 143553233
5-fluoro-N-[(2R)-2-hydroxy-1,2-diphenylethyl]-4,5-dihydro-1H-indole-2-carboxamide
CID 143602105

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 2-(hydroxymethyl)-4-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one (CID 172581062) is 2-(hydroxymethyl)-4-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 2-(hydroxymethyl)-4-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 2-(hydroxymethyl)-4-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one is O=c1[nH]cc(C(F)(F)F)c2cc(CO)[nH]c12.
What is the InChIKey of 2-(hydroxymethyl)-4-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
The InChIKey is KSOJHZFEBDTPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2/c10-9(11,12)6-2-13-8(16)7-5(6)1-4(3-15)14-7/h1-2,14-15H,3H2,(H,13,16).
What are the key properties of 2-(hydroxymethyl)-4-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one?
2-(hydroxymethyl)-4-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one has a molecular weight of 232.16 g/mol, XLogP of 1.37, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-(trifluoromethyl)-1,6-dihydropyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 172581062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).