N-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-amine

C7H5ClFN3 — CID 88931790

IUPACN-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-amine
SMILESFc1cnc(NCl)c2[nH]ccc12
InChIInChI=1S/C7H5ClFN3/c8-12-7-6-4(1-2-10-6)5(9)3-11-7/h1-3,10H,(H,11,12)
InChIKeyRKCPBNCOYSOZTR-UHFFFAOYSA-N
MW185.59 g/mol
LogP2.27
Rot. Bonds1

About N-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-amine

N-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-amine (PubChem CID 88931790) has the molecular formula C7H5ClFN3 and a molecular weight of 185.59 g/mol. Its IUPAC name is N-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-amine.

Molecular Properties

Compound NameN-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-amine
PubChem CID88931790
Molecular FormulaC7H5ClFN3
Molecular Weight185.59 g/mol
Exact Mass185.02
IUPAC NameN-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-amine
SMILESFc1cnc(NCl)c2[nH]ccc12
InChIInChI=1S/C7H5ClFN3/c8-12-7-6-4(1-2-10-6)5(9)3-11-7/h1-3,10H,(H,11,12)
InChIKeyRKCPBNCOYSOZTR-UHFFFAOYSA-N
XLogP2.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.59
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5H-Pyrrolo(3,2-d)pyrimidin-4-amine
CID 5287565
6-Azaindole
CID 9219
Imidazo(4,5-b)pyridine
CID 67504
3H-Imidazo(4,5-b)pyridin-2-amine
CID 179897
Pyrrolopyrimidine
CID 577022
1H-Imidazo(4,5-c)pyridine
CID 9227
1H-pyrrolo[3,2-b]pyridin-5-amine
CID 22126239
3-Deazaadenine
CID 418745
(1H-Imidazo(4,5-B)Pyridin-2-Yl)Methanamine
CID 17747911
N-Ethyl-9H-beta-carbolin-3-amine
CID 13450926
3-Isothiocyanato-9H-beta-carboline
CID 14146437
US20240368153, Example 9-2
CID 165416403

Frequently Asked Questions

What is the IUPAC name of N-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-amine?
The IUPAC name of N-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-amine (CID 88931790) is N-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-amine.
What is the SMILES notation for N-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-amine?
The canonical SMILES for N-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-amine is Fc1cnc(NCl)c2[nH]ccc12.
What is the InChIKey of N-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-amine?
The InChIKey is RKCPBNCOYSOZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFN3/c8-12-7-6-4(1-2-10-6)5(9)3-11-7/h1-3,10H,(H,11,12).
What are the key properties of N-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-amine?
N-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-amine has a molecular weight of 185.59 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 88931790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).