3-fluoropyridin-4-amine

C5H5FN2 — CID 817122

IUPAC3-fluoropyridin-4-amine
SMILESNc1ccncc1F
InChIInChI=1S/C5H5FN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
InChIKeyUFIKBUVVVGSMGW-UHFFFAOYSA-N
MW112.11 g/mol
LogP0.80
Rot. Bonds

About 3-fluoropyridin-4-amine

3-fluoropyridin-4-amine (PubChem CID 817122) has the molecular formula C5H5FN2 and a molecular weight of 112.11 g/mol. Its IUPAC name is 3-fluoropyridin-4-amine.

Molecular Properties

Compound Name3-fluoropyridin-4-amine
PubChem CID817122
Molecular FormulaC5H5FN2
Molecular Weight112.11 g/mol
Exact Mass112.04
IUPAC Name3-fluoropyridin-4-amine
SMILESNc1ccncc1F
InChIInChI=1S/C5H5FN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
InChIKeyUFIKBUVVVGSMGW-UHFFFAOYSA-N
XLogP0.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.11
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropyridin-4-amine?
The IUPAC name of 3-fluoropyridin-4-amine (CID 817122) is 3-fluoropyridin-4-amine.
What is the SMILES notation for 3-fluoropyridin-4-amine?
The canonical SMILES for 3-fluoropyridin-4-amine is Nc1ccncc1F.
What is the InChIKey of 3-fluoropyridin-4-amine?
The InChIKey is UFIKBUVVVGSMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8).
What are the key properties of 3-fluoropyridin-4-amine?
3-fluoropyridin-4-amine has a molecular weight of 112.11 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyridin-4-amine is sourced from PubChem (CID 817122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).