3,5-difluoro-1,2-dihydropyridine-2,6-diamine

C5H7F2N3 — CID 18367509

IUPAC3,5-difluoro-1,2-dihydropyridine-2,6-diamine
SMILESNC1=C(F)C=C(F)C(N)N1
InChIInChI=1S/C5H7F2N3/c6-2-1-3(7)5(9)10-4(2)8/h1,4,10H,8-9H2
InChIKeyYUPLNQPVHQVNEX-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.17
Rot. Bonds

About 3,5-difluoro-1,2-dihydropyridine-2,6-diamine

3,5-difluoro-1,2-dihydropyridine-2,6-diamine (PubChem CID 18367509) has the molecular formula C5H7F2N3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 3,5-difluoro-1,2-dihydropyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-difluoro-1,2-dihydropyridine-2,6-diamine
PubChem CID18367509
Molecular FormulaC5H7F2N3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name3,5-difluoro-1,2-dihydropyridine-2,6-diamine
SMILESNC1=C(F)C=C(F)C(N)N1
InChIInChI=1S/C5H7F2N3/c6-2-1-3(7)5(9)10-4(2)8/h1,4,10H,8-9H2
InChIKeyYUPLNQPVHQVNEX-UHFFFAOYSA-N
XLogP-0.17
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1,2-dihydropyridine-2,6-diamine?
The IUPAC name of 3,5-difluoro-1,2-dihydropyridine-2,6-diamine (CID 18367509) is 3,5-difluoro-1,2-dihydropyridine-2,6-diamine.
What is the SMILES notation for 3,5-difluoro-1,2-dihydropyridine-2,6-diamine?
The canonical SMILES for 3,5-difluoro-1,2-dihydropyridine-2,6-diamine is NC1=C(F)C=C(F)C(N)N1.
What is the InChIKey of 3,5-difluoro-1,2-dihydropyridine-2,6-diamine?
The InChIKey is YUPLNQPVHQVNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3/c6-2-1-3(7)5(9)10-4(2)8/h1,4,10H,8-9H2.
What are the key properties of 3,5-difluoro-1,2-dihydropyridine-2,6-diamine?
3,5-difluoro-1,2-dihydropyridine-2,6-diamine has a molecular weight of 147.13 g/mol, XLogP of -0.17, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1,2-dihydropyridine-2,6-diamine is sourced from PubChem (CID 18367509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).