2-N-(2-fluoroethyl)-6-methoxypyridine-2,3-diamine

C8H12FN3O — CID 22141707

IUPAC2-N-(2-fluoroethyl)-6-methoxypyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCCF)n1
InChIInChI=1S/C8H12FN3O/c1-13-7-3-2-6(10)8(12-7)11-5-4-9/h2-3H,4-5,10H2,1H3,(H,11,12)
InChIKeyGEGLEZBWJGQQJK-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.05
Rot. Bonds4

About 2-N-(2-fluoroethyl)-6-methoxypyridine-2,3-diamine

2-N-(2-fluoroethyl)-6-methoxypyridine-2,3-diamine (PubChem CID 22141707) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-N-(2-fluoroethyl)-6-methoxypyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(2-fluoroethyl)-6-methoxypyridine-2,3-diamine
PubChem CID22141707
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name2-N-(2-fluoroethyl)-6-methoxypyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCCF)n1
InChIInChI=1S/C8H12FN3O/c1-13-7-3-2-6(10)8(12-7)11-5-4-9/h2-3H,4-5,10H2,1H3,(H,11,12)
InChIKeyGEGLEZBWJGQQJK-UHFFFAOYSA-N
XLogP1.05
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluoroethyl)-6-methoxypyridine-2,3-diamine?
The IUPAC name of 2-N-(2-fluoroethyl)-6-methoxypyridine-2,3-diamine (CID 22141707) is 2-N-(2-fluoroethyl)-6-methoxypyridine-2,3-diamine.
What is the SMILES notation for 2-N-(2-fluoroethyl)-6-methoxypyridine-2,3-diamine?
The canonical SMILES for 2-N-(2-fluoroethyl)-6-methoxypyridine-2,3-diamine is COc1ccc(N)c(NCCF)n1.
What is the InChIKey of 2-N-(2-fluoroethyl)-6-methoxypyridine-2,3-diamine?
The InChIKey is GEGLEZBWJGQQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-13-7-3-2-6(10)8(12-7)11-5-4-9/h2-3H,4-5,10H2,1H3,(H,11,12).
What are the key properties of 2-N-(2-fluoroethyl)-6-methoxypyridine-2,3-diamine?
2-N-(2-fluoroethyl)-6-methoxypyridine-2,3-diamine has a molecular weight of 185.20 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluoroethyl)-6-methoxypyridine-2,3-diamine is sourced from PubChem (CID 22141707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).