1-[4-(6-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile

C19H11FN4O2 — CID 67052929

IUPAC1-[4-(6-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile
SMILESN#Cc1c(O)c2c(ccn2-c2ccc(-c3ccc(F)nc3)cc2)[nH]c1=O
InChIInChI=1S/C19H11FN4O2/c20-16-6-3-12(10-22-16)11-1-4-13(5-2-11)24-8-7-15-17(24)18(25)14(9-21)19(26)23-15/h1-8,10H,(H2,23,25,26)
InChIKeyDHKNCTZGBFIRHF-UHFFFAOYSA-N
MW346.32 g/mol
LogP3.10
Rot. Bonds2

About 1-[4-(6-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile

1-[4-(6-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile (PubChem CID 67052929) has the molecular formula C19H11FN4O2 and a molecular weight of 346.32 g/mol. Its IUPAC name is 1-[4-(6-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name1-[4-(6-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile
PubChem CID67052929
Molecular FormulaC19H11FN4O2
Molecular Weight346.32 g/mol
Exact Mass346.09
IUPAC Name1-[4-(6-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile
SMILESN#Cc1c(O)c2c(ccn2-c2ccc(-c3ccc(F)nc3)cc2)[nH]c1=O
InChIInChI=1S/C19H11FN4O2/c20-16-6-3-12(10-22-16)11-1-4-13(5-2-11)24-8-7-15-17(24)18(25)14(9-21)19(26)23-15/h1-8,10H,(H2,23,25,26)
InChIKeyDHKNCTZGBFIRHF-UHFFFAOYSA-N
XLogP3.10
TPSA94.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-1-[4-(5-methylthiophen-2-yl)phenyl]-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile
CID 54727542
7-hydroxy-1-(4-methoxyphenyl)-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile
CID 67052860
3-[4-(6-cyano-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridin-1-yl)phenyl]-2-hydroxybenzoic acid
CID 67052849
7-hydroxy-6-(methyliminomethyl)-1-[4-(6-methyl-3-pyridinyl)phenyl]-4H-pyrrolo[3,2-b]pyridin-5-one
CID 137069382
1-(4-bromophenyl)-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
CID 123621243
1-(4-acetylphenyl)-2-chloro-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile
CID 54727480
2-chloro-1-[4-(2-chloro-4-methoxyphenyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile
CID 54727519
4-(3,4-dihydroxyphenyl)-1-(4-fluorophenyl)-3-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135520893
4-hydroxy-5-[4-(2-hydroxyphenyl)phenyl]-2-oxo-1H-quinoline-3-carbonitrile
CID 54746301
CID 59145394
CID 59145394
5-[4-(4-chloro-2-hydroxyphenyl)phenyl]-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 54578454
azane;3-(4-methylphenyl)-5-oxo-4H-imidazo[4,5-b]pyridine-6,7-dicarbonitrile
CID 11652231

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile?
The IUPAC name of 1-[4-(6-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile (CID 67052929) is 1-[4-(6-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile.
What is the SMILES notation for 1-[4-(6-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile?
The canonical SMILES for 1-[4-(6-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile is N#Cc1c(O)c2c(ccn2-c2ccc(-c3ccc(F)nc3)cc2)[nH]c1=O.
What is the InChIKey of 1-[4-(6-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile?
The InChIKey is DHKNCTZGBFIRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN4O2/c20-16-6-3-12(10-22-16)11-1-4-13(5-2-11)24-8-7-15-17(24)18(25)14(9-21)19(26)23-15/h1-8,10H,(H2,23,25,26).
What are the key properties of 1-[4-(6-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile?
1-[4-(6-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile has a molecular weight of 346.32 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-3-pyridinyl)phenyl]-7-hydroxy-5-oxo-4H-pyrrolo[3,2-b]pyridine-6-carbonitrile is sourced from PubChem (CID 67052929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).