6-(5-fluoro-3-pyridinyl)-3,4-dimethylpyridin-2-amine

C12H12FN3 — CID 91311882

IUPAC6-(5-fluoro-3-pyridinyl)-3,4-dimethylpyridin-2-amine
SMILESCc1cc(-c2cncc(F)c2)nc(N)c1C
InChIInChI=1S/C12H12FN3/c1-7-3-11(16-12(14)8(7)2)9-4-10(13)6-15-5-9/h3-6H,1-2H3,(H2,14,16)
InChIKeyLUVQZARWHGZXDR-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.48
Rot. Bonds1

About 6-(5-fluoro-3-pyridinyl)-3,4-dimethylpyridin-2-amine

6-(5-fluoro-3-pyridinyl)-3,4-dimethylpyridin-2-amine (PubChem CID 91311882) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 6-(5-fluoro-3-pyridinyl)-3,4-dimethylpyridin-2-amine.

Molecular Properties

Compound Name6-(5-fluoro-3-pyridinyl)-3,4-dimethylpyridin-2-amine
PubChem CID91311882
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name6-(5-fluoro-3-pyridinyl)-3,4-dimethylpyridin-2-amine
SMILESCc1cc(-c2cncc(F)c2)nc(N)c1C
InChIInChI=1S/C12H12FN3/c1-7-3-11(16-12(14)8(7)2)9-4-10(13)6-15-5-9/h3-6H,1-2H3,(H2,14,16)
InChIKeyLUVQZARWHGZXDR-UHFFFAOYSA-N
XLogP2.48
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-3-pyridinyl)-3,4-dimethylpyridin-2-amine?
The IUPAC name of 6-(5-fluoro-3-pyridinyl)-3,4-dimethylpyridin-2-amine (CID 91311882) is 6-(5-fluoro-3-pyridinyl)-3,4-dimethylpyridin-2-amine.
What is the SMILES notation for 6-(5-fluoro-3-pyridinyl)-3,4-dimethylpyridin-2-amine?
The canonical SMILES for 6-(5-fluoro-3-pyridinyl)-3,4-dimethylpyridin-2-amine is Cc1cc(-c2cncc(F)c2)nc(N)c1C.
What is the InChIKey of 6-(5-fluoro-3-pyridinyl)-3,4-dimethylpyridin-2-amine?
The InChIKey is LUVQZARWHGZXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c1-7-3-11(16-12(14)8(7)2)9-4-10(13)6-15-5-9/h3-6H,1-2H3,(H2,14,16).
What are the key properties of 6-(5-fluoro-3-pyridinyl)-3,4-dimethylpyridin-2-amine?
6-(5-fluoro-3-pyridinyl)-3,4-dimethylpyridin-2-amine has a molecular weight of 217.25 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-3-pyridinyl)-3,4-dimethylpyridin-2-amine is sourced from PubChem (CID 91311882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).