3-N-(2,2-difluoroethyl)pyridine-2,3-diamine

C7H9F2N3 — CID 104540629

IUPAC3-N-(2,2-difluoroethyl)pyridine-2,3-diamine
SMILESNc1ncccc1NCC(F)F
InChIInChI=1S/C7H9F2N3/c8-6(9)4-12-5-2-1-3-11-7(5)10/h1-3,6,12H,4H2,(H2,10,11)
InChIKeyMBBYETRNCNXORT-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.34
Rot. Bonds3

About 3-N-(2,2-difluoroethyl)pyridine-2,3-diamine

3-N-(2,2-difluoroethyl)pyridine-2,3-diamine (PubChem CID 104540629) has the molecular formula C7H9F2N3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-N-(2,2-difluoroethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(2,2-difluoroethyl)pyridine-2,3-diamine
PubChem CID104540629
Molecular FormulaC7H9F2N3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name3-N-(2,2-difluoroethyl)pyridine-2,3-diamine
SMILESNc1ncccc1NCC(F)F
InChIInChI=1S/C7H9F2N3/c8-6(9)4-12-5-2-1-3-11-7(5)10/h1-3,6,12H,4H2,(H2,10,11)
InChIKeyMBBYETRNCNXORT-UHFFFAOYSA-N
XLogP1.34
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-prop-2-enylpyridine-2,3-diamine
CID 104540292
3-N-(2-propan-2-yloxyethyl)pyridine-2,3-diamine
CID 104758771
3-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine
CID 104540631
3-N-(3-methylbutan-2-yl)pyridine-2,3-diamine
CID 104539778
3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
CID 91315804
2-[(2-amino-3-pyridinyl)amino]-N-methylethanesulfonamide
CID 106334140
3-N-propan-2-ylpyridine-2,3-diamine
CID 58213244
3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine
CID 104540004
3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine
CID 106426053
3-hydrazinylpyridin-2-amine;molecular hydrogen
CID 143942730
3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 104742724
3-N-[(5-bromothiophen-2-yl)methyl]pyridine-2,3-diamine
CID 104540435

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,2-difluoroethyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-(2,2-difluoroethyl)pyridine-2,3-diamine (CID 104540629) is 3-N-(2,2-difluoroethyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(2,2-difluoroethyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-(2,2-difluoroethyl)pyridine-2,3-diamine is Nc1ncccc1NCC(F)F.
What is the InChIKey of 3-N-(2,2-difluoroethyl)pyridine-2,3-diamine?
The InChIKey is MBBYETRNCNXORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3/c8-6(9)4-12-5-2-1-3-11-7(5)10/h1-3,6,12H,4H2,(H2,10,11).
What are the key properties of 3-N-(2,2-difluoroethyl)pyridine-2,3-diamine?
3-N-(2,2-difluoroethyl)pyridine-2,3-diamine has a molecular weight of 173.17 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,2-difluoroethyl)pyridine-2,3-diamine is sourced from PubChem (CID 104540629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).