6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine

C18H12ClFN4 — CID 155519108

IUPAC6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccncc2)c2cc[nH]c2n1
InChIInChI=1S/C18H12ClFN4/c19-11-1-2-15(20)14(9-11)17-10-16(13-5-8-22-18(13)24-17)23-12-3-6-21-7-4-12/h1-10H,(H2,21,22,23,24)
InChIKeyOCAIEQPVLOKCDM-UHFFFAOYSA-N
MW338.77 g/mol
LogP5.16
Rot. Bonds3

About 6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine

6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 155519108) has the molecular formula C18H12ClFN4 and a molecular weight of 338.77 g/mol. Its IUPAC name is 6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID155519108
Molecular FormulaC18H12ClFN4
Molecular Weight338.77 g/mol
Exact Mass338.07
IUPAC Name6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccncc2)c2cc[nH]c2n1
InChIInChI=1S/C18H12ClFN4/c19-11-1-2-15(20)14(9-11)17-10-16(13-5-8-22-18(13)24-17)23-12-3-6-21-7-4-12/h1-10H,(H2,21,22,23,24)
InChIKeyOCAIEQPVLOKCDM-UHFFFAOYSA-N
XLogP5.16
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.77
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 155519108) is 6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine is Fc1ccc(Cl)cc1-c1cc(Nc2ccncc2)c2cc[nH]c2n1.
What is the InChIKey of 6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is OCAIEQPVLOKCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4/c19-11-1-2-15(20)14(9-11)17-10-16(13-5-8-22-18(13)24-17)23-12-3-6-21-7-4-12/h1-10H,(H2,21,22,23,24).
What are the key properties of 6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?
6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 338.77 g/mol, XLogP of 5.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-fluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 155519108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).