7-chloro-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-4-amine

C9H7ClF3N3 — CID 170450705

IUPAC7-chloro-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-4-amine
SMILESFC(F)(F)CNc1cnc(Cl)c2[nH]ccc12
InChIInChI=1S/C9H7ClF3N3/c10-8-7-5(1-2-14-7)6(3-15-8)16-4-9(11,12)13/h1-3,14,16H,4H2
InChIKeyBOLKAXDVIRRGDS-UHFFFAOYSA-N
MW249.62 g/mol
LogP3.19
Rot. Bonds2

About 7-chloro-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-4-amine

7-chloro-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-4-amine (PubChem CID 170450705) has the molecular formula C9H7ClF3N3 and a molecular weight of 249.62 g/mol. Its IUPAC name is 7-chloro-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-4-amine.

Molecular Properties

Compound Name7-chloro-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-4-amine
PubChem CID170450705
Molecular FormulaC9H7ClF3N3
Molecular Weight249.62 g/mol
Exact Mass249.03
IUPAC Name7-chloro-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-4-amine
SMILESFC(F)(F)CNc1cnc(Cl)c2[nH]ccc12
InChIInChI=1S/C9H7ClF3N3/c10-8-7-5(1-2-14-7)6(3-15-8)16-4-9(11,12)13/h1-3,14,16H,4H2
InChIKeyBOLKAXDVIRRGDS-UHFFFAOYSA-N
XLogP3.19
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.62
LogP ≤ 53.19
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 7-chloro-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-4-amine?
The IUPAC name of 7-chloro-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-4-amine (CID 170450705) is 7-chloro-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-4-amine.
What is the SMILES notation for 7-chloro-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-4-amine?
The canonical SMILES for 7-chloro-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-4-amine is FC(F)(F)CNc1cnc(Cl)c2[nH]ccc12.
What is the InChIKey of 7-chloro-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-4-amine?
The InChIKey is BOLKAXDVIRRGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N3/c10-8-7-5(1-2-14-7)6(3-15-8)16-4-9(11,12)13/h1-3,14,16H,4H2.
What are the key properties of 7-chloro-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-4-amine?
7-chloro-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-4-amine has a molecular weight of 249.62 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2,2,2-trifluoroethyl)-1H-pyrrolo[2,3-c]pyridin-4-amine is sourced from PubChem (CID 170450705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).