4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1H-pyrrolo[2,3-c]pyridin-5-amine

C15H12Cl2FN3O — CID 53379346

IUPAC4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1H-pyrrolo[2,3-c]pyridin-5-amine
SMILESC[C@@H](Oc1c(N)ncc2[nH]ccc12)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C15H12Cl2FN3O/c1-7(12-9(16)2-3-10(18)13(12)17)22-14-8-4-5-20-11(8)6-21-15(14)19/h2-7,20H,1H3,(H2,19,21)/t7-/m1/s1
InChIKeyDVIQAWZBFCLJPO-SSDOTTSWSA-N
MW340.19 g/mol
LogP4.73
Rot. Bonds3

About 4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1H-pyrrolo[2,3-c]pyridin-5-amine

4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1H-pyrrolo[2,3-c]pyridin-5-amine (PubChem CID 53379346) has the molecular formula C15H12Cl2FN3O and a molecular weight of 340.19 g/mol. Its IUPAC name is 4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1H-pyrrolo[2,3-c]pyridin-5-amine.

Molecular Properties

Compound Name4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1H-pyrrolo[2,3-c]pyridin-5-amine
PubChem CID53379346
Molecular FormulaC15H12Cl2FN3O
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1H-pyrrolo[2,3-c]pyridin-5-amine
SMILESC[C@@H](Oc1c(N)ncc2[nH]ccc12)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C15H12Cl2FN3O/c1-7(12-9(16)2-3-10(18)13(12)17)22-14-8-4-5-20-11(8)6-21-15(14)19/h2-7,20H,1H3,(H2,19,21)/t7-/m1/s1
InChIKeyDVIQAWZBFCLJPO-SSDOTTSWSA-N
XLogP4.73
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1H-pyrrolo[2,3-c]pyridin-5-amine?
The IUPAC name of 4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1H-pyrrolo[2,3-c]pyridin-5-amine (CID 53379346) is 4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1H-pyrrolo[2,3-c]pyridin-5-amine.
What is the SMILES notation for 4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1H-pyrrolo[2,3-c]pyridin-5-amine?
The canonical SMILES for 4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1H-pyrrolo[2,3-c]pyridin-5-amine is C[C@@H](Oc1c(N)ncc2[nH]ccc12)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1H-pyrrolo[2,3-c]pyridin-5-amine?
The InChIKey is DVIQAWZBFCLJPO-SSDOTTSWSA-N. The full InChI is InChI=1S/C15H12Cl2FN3O/c1-7(12-9(16)2-3-10(18)13(12)17)22-14-8-4-5-20-11(8)6-21-15(14)19/h2-7,20H,1H3,(H2,19,21)/t7-/m1/s1.
What are the key properties of 4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1H-pyrrolo[2,3-c]pyridin-5-amine?
4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1H-pyrrolo[2,3-c]pyridin-5-amine has a molecular weight of 340.19 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-1H-pyrrolo[2,3-c]pyridin-5-amine is sourced from PubChem (CID 53379346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).