3-(4-cyclopropylimidazol-1-yl)-5-fluoropyridin-2-amine

C11H11FN4 — CID 175797549

IUPAC3-(4-cyclopropylimidazol-1-yl)-5-fluoropyridin-2-amine
SMILESNc1ncc(F)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C11H11FN4/c12-8-3-10(11(13)14-4-8)16-5-9(15-6-16)7-1-2-7/h3-7H,1-2H2,(H2,13,14)
InChIKeyPENVSUCSSWCUPB-UHFFFAOYSA-N
MW218.24 g/mol
LogP1.87
Rot. Bonds2

About 3-(4-cyclopropylimidazol-1-yl)-5-fluoropyridin-2-amine

3-(4-cyclopropylimidazol-1-yl)-5-fluoropyridin-2-amine (PubChem CID 175797549) has the molecular formula C11H11FN4 and a molecular weight of 218.24 g/mol. Its IUPAC name is 3-(4-cyclopropylimidazol-1-yl)-5-fluoropyridin-2-amine.

Molecular Properties

Compound Name3-(4-cyclopropylimidazol-1-yl)-5-fluoropyridin-2-amine
PubChem CID175797549
Molecular FormulaC11H11FN4
Molecular Weight218.24 g/mol
Exact Mass218.10
IUPAC Name3-(4-cyclopropylimidazol-1-yl)-5-fluoropyridin-2-amine
SMILESNc1ncc(F)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C11H11FN4/c12-8-3-10(11(13)14-4-8)16-5-9(15-6-16)7-1-2-7/h3-7H,1-2H2,(H2,13,14)
InChIKeyPENVSUCSSWCUPB-UHFFFAOYSA-N
XLogP1.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylimidazol-1-yl)-5-fluoropyridin-2-amine?
The IUPAC name of 3-(4-cyclopropylimidazol-1-yl)-5-fluoropyridin-2-amine (CID 175797549) is 3-(4-cyclopropylimidazol-1-yl)-5-fluoropyridin-2-amine.
What is the SMILES notation for 3-(4-cyclopropylimidazol-1-yl)-5-fluoropyridin-2-amine?
The canonical SMILES for 3-(4-cyclopropylimidazol-1-yl)-5-fluoropyridin-2-amine is Nc1ncc(F)cc1-n1cnc(C2CC2)c1.
What is the InChIKey of 3-(4-cyclopropylimidazol-1-yl)-5-fluoropyridin-2-amine?
The InChIKey is PENVSUCSSWCUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4/c12-8-3-10(11(13)14-4-8)16-5-9(15-6-16)7-1-2-7/h3-7H,1-2H2,(H2,13,14).
What are the key properties of 3-(4-cyclopropylimidazol-1-yl)-5-fluoropyridin-2-amine?
3-(4-cyclopropylimidazol-1-yl)-5-fluoropyridin-2-amine has a molecular weight of 218.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylimidazol-1-yl)-5-fluoropyridin-2-amine is sourced from PubChem (CID 175797549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).