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

C13H8ClF2N3 — CID 169220634

IUPAC6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESFc1ccc(Nc2cc3cc[nH]c3nc2Cl)cc1F
InChIInChI=1S/C13H8ClF2N3/c14-12-11(5-7-3-4-17-13(7)19-12)18-8-1-2-9(15)10(16)6-8/h1-6,18H,(H,17,19)
InChIKeyBHTPGIQAGXZEHZ-UHFFFAOYSA-N
MW279.68 g/mol
LogP4.24
Rot. Bonds2

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

6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 169220634) has the molecular formula C13H8ClF2N3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound Name6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
PubChem CID169220634
Molecular FormulaC13H8ClF2N3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESFc1ccc(Nc2cc3cc[nH]c3nc2Cl)cc1F
InChIInChI=1S/C13H8ClF2N3/c14-12-11(5-7-3-4-17-13(7)19-12)18-8-1-2-9(15)10(16)6-8/h1-6,18H,(H,17,19)
InChIKeyBHTPGIQAGXZEHZ-UHFFFAOYSA-N
XLogP4.24
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of 6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine (CID 169220634) is 6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for 6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for 6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine is Fc1ccc(Nc2cc3cc[nH]c3nc2Cl)cc1F.
What is the InChIKey of 6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is BHTPGIQAGXZEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2N3/c14-12-11(5-7-3-4-17-13(7)19-12)18-8-1-2-9(15)10(16)6-8/h1-6,18H,(H,17,19).
What are the key properties of 6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine?
6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 279.68 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 169220634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).