ethane;5-ethynyl-6,7-difluoro-4-methyl-1,8-naphthyridin-2-amine

C13H13F2N3 — CID 176951041

IUPACethane;5-ethynyl-6,7-difluoro-4-methyl-1,8-naphthyridin-2-amine
SMILESC#Cc1c(F)c(F)nc2nc(N)cc(C)c12.CC
InChIInChI=1S/C11H7F2N3.C2H6/c1-3-6-8-5(2)4-7(14)15-11(8)16-10(13)9(6)12;1-2/h1,4H,2H3,(H2,14,15,16);1-2H3
InChIKeyFIGAXEQQGMTKQQ-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.81
Rot. Bonds

About ethane;5-ethynyl-6,7-difluoro-4-methyl-1,8-naphthyridin-2-amine

ethane;5-ethynyl-6,7-difluoro-4-methyl-1,8-naphthyridin-2-amine (PubChem CID 176951041) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is ethane;5-ethynyl-6,7-difluoro-4-methyl-1,8-naphthyridin-2-amine.

Molecular Properties

Compound Nameethane;5-ethynyl-6,7-difluoro-4-methyl-1,8-naphthyridin-2-amine
PubChem CID176951041
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Nameethane;5-ethynyl-6,7-difluoro-4-methyl-1,8-naphthyridin-2-amine
SMILESC#Cc1c(F)c(F)nc2nc(N)cc(C)c12.CC
InChIInChI=1S/C11H7F2N3.C2H6/c1-3-6-8-5(2)4-7(14)15-11(8)16-10(13)9(6)12;1-2/h1,4H,2H3,(H2,14,15,16);1-2H3
InChIKeyFIGAXEQQGMTKQQ-UHFFFAOYSA-N
XLogP2.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5,6-difluoro-4-iodopyridin-2-amine
CID 159819691
ethane;5-ethynyl-6,7-difluoro-4-propan-2-ylnaphthalen-2-amine
CID 176951360
2-ethynyl-1,3,4-trifluoro-5-methylbenzene
CID 53249704
5-ethynyl-3,6-difluoro-4-methylnaphthalen-2-amine
CID 176919371
5-ethynyl-2-fluoro-6-methylpyridin-3-amine
CID 74888390
7-methyl-2H-triazolo[4,5-b]pyridin-5-amine
CID 126679868
2-ethynyl-1-fluoro-3,5-dimethylbenzene
CID 106882406
3,4-dimethylpyridine-2,6-diamine
CID 23049439
5-ethenyl-6-fluoro-4-methylquinolin-2-amine
CID 178101216
6-(difluoromethyl)-5-iodo-4-methylpyridin-2-amine
CID 130105196
ethane;5-ethynyl-4-methylnaphthalen-2-amine
CID 166141695
8-(1-chloroethenyl)-7-methylnaphthalene-1,3-diamine;ethane;5-ethynyl-6-fluoro-4-methylnaphthalen-2-amine
CID 178161094

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethynyl-6,7-difluoro-4-methyl-1,8-naphthyridin-2-amine?
The IUPAC name of ethane;5-ethynyl-6,7-difluoro-4-methyl-1,8-naphthyridin-2-amine (CID 176951041) is ethane;5-ethynyl-6,7-difluoro-4-methyl-1,8-naphthyridin-2-amine.
What is the SMILES notation for ethane;5-ethynyl-6,7-difluoro-4-methyl-1,8-naphthyridin-2-amine?
The canonical SMILES for ethane;5-ethynyl-6,7-difluoro-4-methyl-1,8-naphthyridin-2-amine is C#Cc1c(F)c(F)nc2nc(N)cc(C)c12.CC.
What is the InChIKey of ethane;5-ethynyl-6,7-difluoro-4-methyl-1,8-naphthyridin-2-amine?
The InChIKey is FIGAXEQQGMTKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3.C2H6/c1-3-6-8-5(2)4-7(14)15-11(8)16-10(13)9(6)12;1-2/h1,4H,2H3,(H2,14,15,16);1-2H3.
What are the key properties of ethane;5-ethynyl-6,7-difluoro-4-methyl-1,8-naphthyridin-2-amine?
ethane;5-ethynyl-6,7-difluoro-4-methyl-1,8-naphthyridin-2-amine has a molecular weight of 249.26 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethynyl-6,7-difluoro-4-methyl-1,8-naphthyridin-2-amine is sourced from PubChem (CID 176951041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).