2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-6-fluoroaniline

C15H13FN4 — CID 81497616

IUPAC2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-6-fluoroaniline
SMILESNc1c(F)cccc1-c1nc2cnccc2n1C1CC1
InChIInChI=1S/C15H13FN4/c16-11-3-1-2-10(14(11)17)15-19-12-8-18-7-6-13(12)20(15)9-4-5-9/h1-3,6-9H,4-5,17H2
InChIKeyZMWNGYUOOPCBKL-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.15
Rot. Bonds2

About 2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-6-fluoroaniline

2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-6-fluoroaniline (PubChem CID 81497616) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-6-fluoroaniline.

Molecular Properties

Compound Name2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-6-fluoroaniline
PubChem CID81497616
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-6-fluoroaniline
SMILESNc1c(F)cccc1-c1nc2cnccc2n1C1CC1
InChIInChI=1S/C15H13FN4/c16-11-3-1-2-10(14(11)17)15-19-12-8-18-7-6-13(12)20(15)9-4-5-9/h1-3,6-9H,4-5,17H2
InChIKeyZMWNGYUOOPCBKL-UHFFFAOYSA-N
XLogP3.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-6-fluoroaniline?
The IUPAC name of 2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-6-fluoroaniline (CID 81497616) is 2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-6-fluoroaniline.
What is the SMILES notation for 2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-6-fluoroaniline?
The canonical SMILES for 2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-6-fluoroaniline is Nc1c(F)cccc1-c1nc2cnccc2n1C1CC1.
What is the InChIKey of 2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-6-fluoroaniline?
The InChIKey is ZMWNGYUOOPCBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c16-11-3-1-2-10(14(11)17)15-19-12-8-18-7-6-13(12)20(15)9-4-5-9/h1-3,6-9H,4-5,17H2.
What are the key properties of 2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-6-fluoroaniline?
2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-6-fluoroaniline has a molecular weight of 268.30 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylimidazo[4,5-c]pyridin-2-yl)-6-fluoroaniline is sourced from PubChem (CID 81497616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).