5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2-hydroxyethylamino)pyridine-3-carbonitrile

C15H11F2N5O — CID 126733576

IUPAC5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2-hydroxyethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(NCCO)nc1-c1c[nH]c2ncc(F)cc12
InChIInChI=1S/C15H11F2N5O/c16-9-4-10-11(7-21-14(10)20-6-9)13-8(5-18)3-12(17)15(22-13)19-1-2-23/h3-4,6-7,23H,1-2H2,(H,19,22)(H,20,21)
InChIKeyMZIJCEOJYRWSOC-UHFFFAOYSA-N
MW315.28 g/mol
LogP2.18
Rot. Bonds4

About 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2-hydroxyethylamino)pyridine-3-carbonitrile

5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2-hydroxyethylamino)pyridine-3-carbonitrile (PubChem CID 126733576) has the molecular formula C15H11F2N5O and a molecular weight of 315.28 g/mol. Its IUPAC name is 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2-hydroxyethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2-hydroxyethylamino)pyridine-3-carbonitrile
PubChem CID126733576
Molecular FormulaC15H11F2N5O
Molecular Weight315.28 g/mol
Exact Mass315.09
IUPAC Name5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2-hydroxyethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc(F)c(NCCO)nc1-c1c[nH]c2ncc(F)cc12
InChIInChI=1S/C15H11F2N5O/c16-9-4-10-11(7-21-14(10)20-6-9)13-8(5-18)3-12(17)15(22-13)19-1-2-23/h3-4,6-7,23H,1-2H2,(H,19,22)(H,20,21)
InChIKeyMZIJCEOJYRWSOC-UHFFFAOYSA-N
XLogP2.18
TPSA97.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile
CID 145012852
2-[[5-cyano-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]-3,3-dimethylbutane-1-sulfonic acid
CID 78092586
3-[[5-cyano-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]-4,4-dimethylhexanoic acid
CID 71251265
(3R)-3-[[5-cyano-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]-3-(1-methylcyclopentyl)propanoic acid
CID 71251347
(3S)-N-[(1R,3S)-3-[[5-cyano-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-3-fluoropyrrolidine-1-carboxamide
CID 149433107
(3R)-N-[(1S,3R)-3-[[5-cyano-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-3-fluoropyrrolidine-1-carboxamide
CID 57388490
2-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]ethanesulfonic acid
CID 134308907
2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]pyridine-3-carbonitrile
CID 118871790
2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]ethanol;ethane;2-methylpropane
CID 144524167
ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 144524176
5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2,2,5-trimethylhexan-3-yl)pyrimidin-4-amine
CID 78109709
4-[5-(1,1-difluoroethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylpyrimidine-5-carbonitrile
CID 90160956

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2-hydroxyethylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2-hydroxyethylamino)pyridine-3-carbonitrile (CID 126733576) is 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2-hydroxyethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2-hydroxyethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2-hydroxyethylamino)pyridine-3-carbonitrile is N#Cc1cc(F)c(NCCO)nc1-c1c[nH]c2ncc(F)cc12.
What is the InChIKey of 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2-hydroxyethylamino)pyridine-3-carbonitrile?
The InChIKey is MZIJCEOJYRWSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N5O/c16-9-4-10-11(7-21-14(10)20-6-9)13-8(5-18)3-12(17)15(22-13)19-1-2-23/h3-4,6-7,23H,1-2H2,(H,19,22)(H,20,21).
What are the key properties of 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2-hydroxyethylamino)pyridine-3-carbonitrile?
5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2-hydroxyethylamino)pyridine-3-carbonitrile has a molecular weight of 315.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2-hydroxyethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 126733576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).