2-(2,4-difluorophenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol

C14H12F2N2O — CID 14989699

IUPAC2-(2,4-difluorophenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol
SMILESCc1ncc2c(c1O)CN(c1ccc(F)cc1F)C2
InChIInChI=1S/C14H12F2N2O/c1-8-14(19)11-7-18(6-9(11)5-17-8)13-3-2-10(15)4-12(13)16/h2-5,19H,6-7H2,1H3
InChIKeyWPJSBMIWVQCUTF-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.89
Rot. Bonds1

About 2-(2,4-difluorophenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol

2-(2,4-difluorophenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol (PubChem CID 14989699) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol
PubChem CID14989699
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name2-(2,4-difluorophenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol
SMILESCc1ncc2c(c1O)CN(c1ccc(F)cc1F)C2
InChIInChI=1S/C14H12F2N2O/c1-8-14(19)11-7-18(6-9(11)5-17-8)13-3-2-10(15)4-12(13)16/h2-5,19H,6-7H2,1H3
InChIKeyWPJSBMIWVQCUTF-UHFFFAOYSA-N
XLogP2.89
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol (CID 14989699) is 2-(2,4-difluorophenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol is Cc1ncc2c(c1O)CN(c1ccc(F)cc1F)C2.
What is the InChIKey of 2-(2,4-difluorophenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol?
The InChIKey is WPJSBMIWVQCUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-8-14(19)11-7-18(6-9(11)5-17-8)13-3-2-10(15)4-12(13)16/h2-5,19H,6-7H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol?
2-(2,4-difluorophenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol has a molecular weight of 262.26 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol is sourced from PubChem (CID 14989699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).