2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride

C13H11ClFN3 — CID 86728040

IUPAC2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride
SMILESCl.Nc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1
InChIInChI=1S/C13H10FN3.ClH/c14-10-3-1-8(2-4-10)12-6-9-5-11(15)7-16-13(9)17-12;/h1-7H,15H2,(H,16,17);1H
InChIKeyMLILKHMBZLIDNS-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.37
Rot. Bonds1

About 2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride

2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride (PubChem CID 86728040) has the molecular formula C13H11ClFN3 and a molecular weight of 263.70 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride
PubChem CID86728040
Molecular FormulaC13H11ClFN3
Molecular Weight263.70 g/mol
Exact Mass263.06
IUPAC Name2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride
SMILESCl.Nc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1
InChIInChI=1S/C13H10FN3.ClH/c14-10-3-1-8(2-4-10)12-6-9-5-11(15)7-16-13(9)17-12;/h1-7H,15H2,(H,16,17);1H
InChIKeyMLILKHMBZLIDNS-UHFFFAOYSA-N
XLogP3.37
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride (CID 86728040) is 2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride is Cl.Nc1cnc2[nH]c(-c3ccc(F)cc3)cc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride?
The InChIKey is MLILKHMBZLIDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3.ClH/c14-10-3-1-8(2-4-10)12-6-9-5-11(15)7-16-13(9)17-12;/h1-7H,15H2,(H,16,17);1H.
What are the key properties of 2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride?
2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride has a molecular weight of 263.70 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;hydrochloride is sourced from PubChem (CID 86728040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).