2,4-difluoro-3-(1-methylimidazo[1,5-a]pyridin-6-yl)aniline

C14H11F2N3 — CID 164594272

IUPAC2,4-difluoro-3-(1-methylimidazo[1,5-a]pyridin-6-yl)aniline
SMILESCc1ncn2cc(-c3c(F)ccc(N)c3F)ccc12
InChIInChI=1S/C14H11F2N3/c1-8-12-5-2-9(6-19(12)7-18-8)13-10(15)3-4-11(17)14(13)16/h2-7H,17H2,1H3
InChIKeyALIIMEIBTSFXCH-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.17
Rot. Bonds1

About 2,4-difluoro-3-(1-methylimidazo[1,5-a]pyridin-6-yl)aniline

2,4-difluoro-3-(1-methylimidazo[1,5-a]pyridin-6-yl)aniline (PubChem CID 164594272) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2,4-difluoro-3-(1-methylimidazo[1,5-a]pyridin-6-yl)aniline.

Molecular Properties

Compound Name2,4-difluoro-3-(1-methylimidazo[1,5-a]pyridin-6-yl)aniline
PubChem CID164594272
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name2,4-difluoro-3-(1-methylimidazo[1,5-a]pyridin-6-yl)aniline
SMILESCc1ncn2cc(-c3c(F)ccc(N)c3F)ccc12
InChIInChI=1S/C14H11F2N3/c1-8-12-5-2-9(6-19(12)7-18-8)13-10(15)3-4-11(17)14(13)16/h2-7H,17H2,1H3
InChIKeyALIIMEIBTSFXCH-UHFFFAOYSA-N
XLogP3.17
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-(1-methylimidazo[1,5-a]pyridin-6-yl)aniline?
The IUPAC name of 2,4-difluoro-3-(1-methylimidazo[1,5-a]pyridin-6-yl)aniline (CID 164594272) is 2,4-difluoro-3-(1-methylimidazo[1,5-a]pyridin-6-yl)aniline.
What is the SMILES notation for 2,4-difluoro-3-(1-methylimidazo[1,5-a]pyridin-6-yl)aniline?
The canonical SMILES for 2,4-difluoro-3-(1-methylimidazo[1,5-a]pyridin-6-yl)aniline is Cc1ncn2cc(-c3c(F)ccc(N)c3F)ccc12.
What is the InChIKey of 2,4-difluoro-3-(1-methylimidazo[1,5-a]pyridin-6-yl)aniline?
The InChIKey is ALIIMEIBTSFXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c1-8-12-5-2-9(6-19(12)7-18-8)13-10(15)3-4-11(17)14(13)16/h2-7H,17H2,1H3.
What are the key properties of 2,4-difluoro-3-(1-methylimidazo[1,5-a]pyridin-6-yl)aniline?
2,4-difluoro-3-(1-methylimidazo[1,5-a]pyridin-6-yl)aniline has a molecular weight of 259.26 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-(1-methylimidazo[1,5-a]pyridin-6-yl)aniline is sourced from PubChem (CID 164594272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).