2-(2,6-difluorophenyl)-4-(methylamino)-6H-pyrrolo[3,4-b]pyridin-5-ol

C14H11F2N3O — CID 137159888

IUPAC2-(2,6-difluorophenyl)-4-(methylamino)-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESCNc1cc(-c2c(F)cccc2F)nc2c[nH]c(O)c12
InChIInChI=1S/C14H11F2N3O/c1-17-9-5-10(12-7(15)3-2-4-8(12)16)19-11-6-18-14(20)13(9)11/h2-6,17-18,20H,1H3
InChIKeyUIUSMSFXOVQLSG-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.26
Rot. Bonds2

About 2-(2,6-difluorophenyl)-4-(methylamino)-6H-pyrrolo[3,4-b]pyridin-5-ol

2-(2,6-difluorophenyl)-4-(methylamino)-6H-pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137159888) has the molecular formula C14H11F2N3O and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(methylamino)-6H-pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(methylamino)-6H-pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137159888
Molecular FormulaC14H11F2N3O
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-(2,6-difluorophenyl)-4-(methylamino)-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESCNc1cc(-c2c(F)cccc2F)nc2c[nH]c(O)c12
InChIInChI=1S/C14H11F2N3O/c1-17-9-5-10(12-7(15)3-2-4-8(12)16)19-11-6-18-14(20)13(9)11/h2-6,17-18,20H,1H3
InChIKeyUIUSMSFXOVQLSG-UHFFFAOYSA-N
XLogP3.26
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 44419702
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3-[2-(4-Methyl-piperazin-1-yl)-ethyl]-1H-indol-4-ol
CID 21786603
Glucocorticoid receptor agonist
CID 46937290
3-[(E)-(3-pyridin-3-ylindazol-6-ylidene)methyl]-1H-indol-2-ol
CID 135989019
2-Hydroxy-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
CID 136029155
6-hydroxy-2-methyl-9H-beta-carbolin-2-ium
CID 44419700
9,12,20-Triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-16-ol
CID 14783715
2-[6-(4-hydroxyphenyl)pyrazin-2-yl]-1H-indol-6-ol
CID 136098625
1-methyl-9H-pyrido[3,4-b]indol-6-ol
CID 10943454
(1H-Pyrrolo[3,2-b]pyridin-6-yl)methanol
CID 24229266
9H-pyrido[3,4-b]indol-6-ol
CID 10464995

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(methylamino)-6H-pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(methylamino)-6H-pyrrolo[3,4-b]pyridin-5-ol (CID 137159888) is 2-(2,6-difluorophenyl)-4-(methylamino)-6H-pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(methylamino)-6H-pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(methylamino)-6H-pyrrolo[3,4-b]pyridin-5-ol is CNc1cc(-c2c(F)cccc2F)nc2c[nH]c(O)c12.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(methylamino)-6H-pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is UIUSMSFXOVQLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O/c1-17-9-5-10(12-7(15)3-2-4-8(12)16)19-11-6-18-14(20)13(9)11/h2-6,17-18,20H,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-(methylamino)-6H-pyrrolo[3,4-b]pyridin-5-ol?
2-(2,6-difluorophenyl)-4-(methylamino)-6H-pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 275.26 g/mol, XLogP of 3.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(methylamino)-6H-pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137159888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).