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

C18H11ClF2N4 — CID 155513136

IUPAC6-(5-chloro-2,4-difluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESFc1cc(F)c(-c2cc(Nc3ccncc3)c3cc[nH]c3n2)cc1Cl
InChIInChI=1S/C18H11ClF2N4/c19-13-7-12(14(20)8-15(13)21)17-9-16(11-3-6-23-18(11)25-17)24-10-1-4-22-5-2-10/h1-9H,(H2,22,23,24,25)
InChIKeyMOXKDKRBVAMLRS-UHFFFAOYSA-N
MW356.76 g/mol
LogP5.30
Rot. Bonds3

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

6-(5-chloro-2,4-difluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 155513136) has the molecular formula C18H11ClF2N4 and a molecular weight of 356.76 g/mol. Its IUPAC name is 6-(5-chloro-2,4-difluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name6-(5-chloro-2,4-difluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID155513136
Molecular FormulaC18H11ClF2N4
Molecular Weight356.76 g/mol
Exact Mass356.06
IUPAC Name6-(5-chloro-2,4-difluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESFc1cc(F)c(-c2cc(Nc3ccncc3)c3cc[nH]c3n2)cc1Cl
InChIInChI=1S/C18H11ClF2N4/c19-13-7-12(14(20)8-15(13)21)17-9-16(11-3-6-23-18(11)25-17)24-10-1-4-22-5-2-10/h1-9H,(H2,22,23,24,25)
InChIKeyMOXKDKRBVAMLRS-UHFFFAOYSA-N
XLogP5.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.76
LogP ≤ 55.30
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 6-(5-chloro-2,4-difluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 6-(5-chloro-2,4-difluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 155513136) is 6-(5-chloro-2,4-difluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 6-(5-chloro-2,4-difluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 6-(5-chloro-2,4-difluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine is Fc1cc(F)c(-c2cc(Nc3ccncc3)c3cc[nH]c3n2)cc1Cl.
What is the InChIKey of 6-(5-chloro-2,4-difluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is MOXKDKRBVAMLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N4/c19-13-7-12(14(20)8-15(13)21)17-9-16(11-3-6-23-18(11)25-17)24-10-1-4-22-5-2-10/h1-9H,(H2,22,23,24,25).
What are the key properties of 6-(5-chloro-2,4-difluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?
6-(5-chloro-2,4-difluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 356.76 g/mol, XLogP of 5.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2,4-difluorophenyl)-N-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 155513136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).