3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylisoindol-1-amine

C20H16FN3 — CID 24874692

IUPAC3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylisoindol-1-amine
SMILESCC1(c2cccc(-c3cccnc3F)c2)N=C(N)c2ccccc21
InChIInChI=1S/C20H16FN3/c1-20(17-10-3-2-8-16(17)19(22)24-20)14-7-4-6-13(12-14)15-9-5-11-23-18(15)21/h2-12H,1H3,(H2,22,24)
InChIKeyMVEDCJMTZYLBDN-UHFFFAOYSA-N
MW317.37 g/mol
LogP3.87
Rot. Bonds2

About 3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylisoindol-1-amine

3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylisoindol-1-amine (PubChem CID 24874692) has the molecular formula C20H16FN3 and a molecular weight of 317.37 g/mol. Its IUPAC name is 3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylisoindol-1-amine.

Molecular Properties

Compound Name3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylisoindol-1-amine
PubChem CID24874692
Molecular FormulaC20H16FN3
Molecular Weight317.37 g/mol
Exact Mass317.13
IUPAC Name3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylisoindol-1-amine
SMILESCC1(c2cccc(-c3cccnc3F)c2)N=C(N)c2ccccc21
InChIInChI=1S/C20H16FN3/c1-20(17-10-3-2-8-16(17)19(22)24-20)14-7-4-6-13(12-14)15-9-5-11-23-18(15)21/h2-12H,1H3,(H2,22,24)
InChIKeyMVEDCJMTZYLBDN-UHFFFAOYSA-N
XLogP3.87
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine
CID 143599384
3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-(4-methylsulfonylphenyl)isoindol-1-amine
CID 25154233
1-(1,3-benzodioxol-5-yl)-1-[3-(2-fluoro-3-pyridinyl)phenyl]isoindole
CID 141197900
5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
CID 25119895
1-[3-(2-fluoro-3-pyridinyl)phenyl]-1-(4-methoxy-3-methylphenyl)isoindole
CID 68839150
2-amino-5-[3,4-bis(oxiran-2-yl)phenyl]-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 89138384
(4S)-4-[3-(2-fluoro-3-pyridinyl)phenyl]-4-(4-propan-2-yloxyphenyl)-5H-1,3-oxazol-2-amine
CID 67349588
(4S)-4-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 58376896
2-fluoro-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089697
(5R)-1-fluoro-7-(2-fluoro-3-pyridinyl)-3-(2-fluoro-4-pyridinyl)spiro[chromeno[2,3-c]pyridine-5,3'-isoindole]-1'-amine
CID 56653077
2-fluoro-3-(3-nitrophenyl)pyridine
CID 125425503
3-(2-fluoro-3-pyridinyl)benzaldehyde
CID 165111787

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylisoindol-1-amine?
The IUPAC name of 3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylisoindol-1-amine (CID 24874692) is 3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylisoindol-1-amine.
What is the SMILES notation for 3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylisoindol-1-amine?
The canonical SMILES for 3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylisoindol-1-amine is CC1(c2cccc(-c3cccnc3F)c2)N=C(N)c2ccccc21.
What is the InChIKey of 3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylisoindol-1-amine?
The InChIKey is MVEDCJMTZYLBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3/c1-20(17-10-3-2-8-16(17)19(22)24-20)14-7-4-6-13(12-14)15-9-5-11-23-18(15)21/h2-12H,1H3,(H2,22,24).
What are the key properties of 3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylisoindol-1-amine?
3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylisoindol-1-amine has a molecular weight of 317.37 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylisoindol-1-amine is sourced from PubChem (CID 24874692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).