3-cyclopropyl-5-fluoro-2H-pyridine-2,3-diamine

C8H12FN3 — CID 154375476

IUPAC3-cyclopropyl-5-fluoro-2H-pyridine-2,3-diamine
SMILESNC1N=CC(F)=CC1(N)C1CC1
InChIInChI=1S/C8H12FN3/c9-6-3-8(11,5-1-2-5)7(10)12-4-6/h3-5,7H,1-2,10-11H2
InChIKeyNUQBXVJAGVCKMU-UHFFFAOYSA-N
MW169.20 g/mol
LogP0.32
Rot. Bonds1

About 3-cyclopropyl-5-fluoro-2H-pyridine-2,3-diamine

3-cyclopropyl-5-fluoro-2H-pyridine-2,3-diamine (PubChem CID 154375476) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is 3-cyclopropyl-5-fluoro-2H-pyridine-2,3-diamine.

Molecular Properties

Compound Name3-cyclopropyl-5-fluoro-2H-pyridine-2,3-diamine
PubChem CID154375476
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name3-cyclopropyl-5-fluoro-2H-pyridine-2,3-diamine
SMILESNC1N=CC(F)=CC1(N)C1CC1
InChIInChI=1S/C8H12FN3/c9-6-3-8(11,5-1-2-5)7(10)12-4-6/h3-5,7H,1-2,10-11H2
InChIKeyNUQBXVJAGVCKMU-UHFFFAOYSA-N
XLogP0.32
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,4,4-trifluorobutyl)-2H-pyridine-2,3-diamine
CID 154315144
3-pentan-3-yl-2H-pyridine-2,3-diamine
CID 145486557

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-fluoro-2H-pyridine-2,3-diamine?
The IUPAC name of 3-cyclopropyl-5-fluoro-2H-pyridine-2,3-diamine (CID 154375476) is 3-cyclopropyl-5-fluoro-2H-pyridine-2,3-diamine.
What is the SMILES notation for 3-cyclopropyl-5-fluoro-2H-pyridine-2,3-diamine?
The canonical SMILES for 3-cyclopropyl-5-fluoro-2H-pyridine-2,3-diamine is NC1N=CC(F)=CC1(N)C1CC1.
What is the InChIKey of 3-cyclopropyl-5-fluoro-2H-pyridine-2,3-diamine?
The InChIKey is NUQBXVJAGVCKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c9-6-3-8(11,5-1-2-5)7(10)12-4-6/h3-5,7H,1-2,10-11H2.
What are the key properties of 3-cyclopropyl-5-fluoro-2H-pyridine-2,3-diamine?
3-cyclopropyl-5-fluoro-2H-pyridine-2,3-diamine has a molecular weight of 169.20 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-fluoro-2H-pyridine-2,3-diamine is sourced from PubChem (CID 154375476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).