5-ethynyl-3-fluoropyridin-2-amine

C7H5FN2 — CID 74892202

IUPAC5-ethynyl-3-fluoropyridin-2-amine
SMILESC#Cc1cnc(N)c(F)c1
InChIInChI=1S/C7H5FN2/c1-2-5-3-6(8)7(9)10-4-5/h1,3-4H,(H2,9,10)
InChIKeyBLOVIXTYCUIFCQ-UHFFFAOYSA-N
MW136.13 g/mol
LogP0.78
Rot. Bonds

About 5-ethynyl-3-fluoropyridin-2-amine

5-ethynyl-3-fluoropyridin-2-amine (PubChem CID 74892202) has the molecular formula C7H5FN2 and a molecular weight of 136.13 g/mol. Its IUPAC name is 5-ethynyl-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-ethynyl-3-fluoropyridin-2-amine
PubChem CID74892202
Molecular FormulaC7H5FN2
Molecular Weight136.13 g/mol
Exact Mass136.04
IUPAC Name5-ethynyl-3-fluoropyridin-2-amine
SMILESC#Cc1cnc(N)c(F)c1
InChIInChI=1S/C7H5FN2/c1-2-5-3-6(8)7(9)10-4-5/h1,3-4H,(H2,9,10)
InChIKeyBLOVIXTYCUIFCQ-UHFFFAOYSA-N
XLogP0.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-3-fluoropyridin-2-amine?
The IUPAC name of 5-ethynyl-3-fluoropyridin-2-amine (CID 74892202) is 5-ethynyl-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-ethynyl-3-fluoropyridin-2-amine?
The canonical SMILES for 5-ethynyl-3-fluoropyridin-2-amine is C#Cc1cnc(N)c(F)c1.
What is the InChIKey of 5-ethynyl-3-fluoropyridin-2-amine?
The InChIKey is BLOVIXTYCUIFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2/c1-2-5-3-6(8)7(9)10-4-5/h1,3-4H,(H2,9,10).
What are the key properties of 5-ethynyl-3-fluoropyridin-2-amine?
5-ethynyl-3-fluoropyridin-2-amine has a molecular weight of 136.13 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-3-fluoropyridin-2-amine is sourced from PubChem (CID 74892202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).