5-chloro-4-fluoro-1,2-dihydropyridin-2-amine

C5H6ClFN2 — CID 166961880

IUPAC5-chloro-4-fluoro-1,2-dihydropyridin-2-amine
SMILESNC1C=C(F)C(Cl)=CN1
InChIInChI=1S/C5H6ClFN2/c6-3-2-9-5(8)1-4(3)7/h1-2,5,9H,8H2
InChIKeyUNQGTNDUSGSPIT-UHFFFAOYSA-N
MW148.57 g/mol
LogP0.81
Rot. Bonds

About 5-chloro-4-fluoro-1,2-dihydropyridin-2-amine

5-chloro-4-fluoro-1,2-dihydropyridin-2-amine (PubChem CID 166961880) has the molecular formula C5H6ClFN2 and a molecular weight of 148.57 g/mol. Its IUPAC name is 5-chloro-4-fluoro-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-fluoro-1,2-dihydropyridin-2-amine
PubChem CID166961880
Molecular FormulaC5H6ClFN2
Molecular Weight148.57 g/mol
Exact Mass148.02
IUPAC Name5-chloro-4-fluoro-1,2-dihydropyridin-2-amine
SMILESNC1C=C(F)C(Cl)=CN1
InChIInChI=1S/C5H6ClFN2/c6-3-2-9-5(8)1-4(3)7/h1-2,5,9H,8H2
InChIKeyUNQGTNDUSGSPIT-UHFFFAOYSA-N
XLogP0.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.57
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-1,2-dihydropyridin-2-amine?
The IUPAC name of 5-chloro-4-fluoro-1,2-dihydropyridin-2-amine (CID 166961880) is 5-chloro-4-fluoro-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 5-chloro-4-fluoro-1,2-dihydropyridin-2-amine?
The canonical SMILES for 5-chloro-4-fluoro-1,2-dihydropyridin-2-amine is NC1C=C(F)C(Cl)=CN1.
What is the InChIKey of 5-chloro-4-fluoro-1,2-dihydropyridin-2-amine?
The InChIKey is UNQGTNDUSGSPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClFN2/c6-3-2-9-5(8)1-4(3)7/h1-2,5,9H,8H2.
What are the key properties of 5-chloro-4-fluoro-1,2-dihydropyridin-2-amine?
5-chloro-4-fluoro-1,2-dihydropyridin-2-amine has a molecular weight of 148.57 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 166961880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).