(7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl) 2-oxoacetate

C9H4ClFN2O3 — CID 91514755

IUPAC(7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl) 2-oxoacetate
SMILESO=CC(=O)Oc1c[nH]c2c(Cl)ncc(F)c12
InChIInChI=1S/C9H4ClFN2O3/c10-9-8-7(4(11)1-13-9)5(2-12-8)16-6(15)3-14/h1-3,12H
InChIKeyCFPTZCKZSSKMIH-UHFFFAOYSA-N
MW242.59 g/mol
LogP1.46
Rot. Bonds2

About (7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl) 2-oxoacetate

(7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl) 2-oxoacetate (PubChem CID 91514755) has the molecular formula C9H4ClFN2O3 and a molecular weight of 242.59 g/mol. Its IUPAC name is (7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl) 2-oxoacetate.

Molecular Properties

Compound Name(7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl) 2-oxoacetate
PubChem CID91514755
Molecular FormulaC9H4ClFN2O3
Molecular Weight242.59 g/mol
Exact Mass241.99
IUPAC Name(7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl) 2-oxoacetate
SMILESO=CC(=O)Oc1c[nH]c2c(Cl)ncc(F)c12
InChIInChI=1S/C9H4ClFN2O3/c10-9-8-7(4(11)1-13-9)5(2-12-8)16-6(15)3-14/h1-3,12H
InChIKeyCFPTZCKZSSKMIH-UHFFFAOYSA-N
XLogP1.46
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.59
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)prop-2-enal;phenyl(piperazin-1-yl)methanone
CID 142861442
7-chloro-3-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid
CID 130140372
1-(4,7-difluoro-1H-indol-3-yl)ethanone;formyl chloride
CID 168946898
4-fluoro-N-(2-hydroxyethyl)-3-oxaldehydoyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 89022728
ethyl 8-chloro-5-fluoro-4-hydroxy-2-oxo-1H-1,7-naphthyridine-3-carboxylate
CID 167020392
CID 89320198
CID 89320198
2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)acetic acid
CID 174463738
4-fluoro-3-(2-oxo-2-piperazin-1-ylacetyl)-1H-pyrrolo[2,3-c]pyridine-7-carbaldehyde
CID 142987022
tert-butyl 4-[2-(7-chloro-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperazine-1-carboxylate
CID 59693943
potassium 2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate
CID 59693877
3-acetyl-4-fluoro-1H-indole-7-carbaldehyde
CID 143126561
(6-chloro-5-fluoro-4-methyl-3-pyridinyl) carbamate
CID 175348088

Frequently Asked Questions

What is the IUPAC name of (7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl) 2-oxoacetate?
The IUPAC name of (7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl) 2-oxoacetate (CID 91514755) is (7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl) 2-oxoacetate.
What is the SMILES notation for (7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl) 2-oxoacetate?
The canonical SMILES for (7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl) 2-oxoacetate is O=CC(=O)Oc1c[nH]c2c(Cl)ncc(F)c12.
What is the InChIKey of (7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl) 2-oxoacetate?
The InChIKey is CFPTZCKZSSKMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClFN2O3/c10-9-8-7(4(11)1-13-9)5(2-12-8)16-6(15)3-14/h1-3,12H.
What are the key properties of (7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl) 2-oxoacetate?
(7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl) 2-oxoacetate has a molecular weight of 242.59 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl) 2-oxoacetate is sourced from PubChem (CID 91514755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).