4-fluoro-N-(2-hydroxyethyl)-3-oxaldehydoyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide

C12H10FN3O4 — CID 89022728

IUPAC4-fluoro-N-(2-hydroxyethyl)-3-oxaldehydoyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
SMILESO=CC(=O)c1c[nH]c2c(C(=O)NCCO)ncc(F)c12
InChIInChI=1S/C12H10FN3O4/c13-7-4-16-11(12(20)14-1-2-17)10-9(7)6(3-15-10)8(19)5-18/h3-5,15,17H,1-2H2,(H,14,20)
InChIKeySIMXJXVDZYAFFE-UHFFFAOYSA-N
MW279.23 g/mol
LogP-0.19
Rot. Bonds5

About 4-fluoro-N-(2-hydroxyethyl)-3-oxaldehydoyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide

4-fluoro-N-(2-hydroxyethyl)-3-oxaldehydoyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide (PubChem CID 89022728) has the molecular formula C12H10FN3O4 and a molecular weight of 279.23 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxyethyl)-3-oxaldehydoyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxyethyl)-3-oxaldehydoyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
PubChem CID89022728
Molecular FormulaC12H10FN3O4
Molecular Weight279.23 g/mol
Exact Mass279.07
IUPAC Name4-fluoro-N-(2-hydroxyethyl)-3-oxaldehydoyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
SMILESO=CC(=O)c1c[nH]c2c(C(=O)NCCO)ncc(F)c12
InChIInChI=1S/C12H10FN3O4/c13-7-4-16-11(12(20)14-1-2-17)10-9(7)6(3-15-10)8(19)5-18/h3-5,15,17H,1-2H2,(H,14,20)
InChIKeySIMXJXVDZYAFFE-UHFFFAOYSA-N
XLogP-0.19
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 4-fluoro-3-oxaldehydoyl-1H-indole-7-carboxylate
CID 142845141
2-[4-fluoro-7-(1H-1,2,4-triazol-5-yl)-1H-indol-3-yl]-2-oxoacetaldehyde
CID 139979650
CID 89320198
CID 89320198
(7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl) 2-oxoacetate
CID 91514755
potassium 2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate
CID 59693877
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 43501008
2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184
7-chloro-6-fluoro-N-(2-hydroxyethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 614308
4-fluoro-3-(2-oxo-2-piperazin-1-ylacetyl)-1H-pyrrolo[2,3-c]pyridine-7-carbaldehyde
CID 142987022
N-(4-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 106845244
3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide
CID 163353826

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxyethyl)-3-oxaldehydoyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?
The IUPAC name of 4-fluoro-N-(2-hydroxyethyl)-3-oxaldehydoyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide (CID 89022728) is 4-fluoro-N-(2-hydroxyethyl)-3-oxaldehydoyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxyethyl)-3-oxaldehydoyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxyethyl)-3-oxaldehydoyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide is O=CC(=O)c1c[nH]c2c(C(=O)NCCO)ncc(F)c12.
What is the InChIKey of 4-fluoro-N-(2-hydroxyethyl)-3-oxaldehydoyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?
The InChIKey is SIMXJXVDZYAFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O4/c13-7-4-16-11(12(20)14-1-2-17)10-9(7)6(3-15-10)8(19)5-18/h3-5,15,17H,1-2H2,(H,14,20).
What are the key properties of 4-fluoro-N-(2-hydroxyethyl)-3-oxaldehydoyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?
4-fluoro-N-(2-hydroxyethyl)-3-oxaldehydoyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide has a molecular weight of 279.23 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxyethyl)-3-oxaldehydoyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 89022728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).