(2R)-2-fluoro-1,2,3,4,4a,5-hexahydropyrido[2,3-f][1,7]naphthyridine

C11H12FN3 — CID 175793506

IUPAC(2R)-2-fluoro-1,2,3,4,4a,5-hexahydropyrido[2,3-f][1,7]naphthyridine
SMILESF[C@@H]1CCC2NC=c3ncccc3=C2N1
InChIInChI=1S/C11H12FN3/c12-10-4-3-8-11(15-10)7-2-1-5-13-9(7)6-14-8/h1-2,5-6,8,10,14-15H,3-4H2/t8?,10-/m0/s1
InChIKeyHUGCGOIKXXVEEF-HTLJXXAVSA-N
MW205.24 g/mol
LogP-0.42
Rot. Bonds

About (2R)-2-fluoro-1,2,3,4,4a,5-hexahydropyrido[2,3-f][1,7]naphthyridine

(2R)-2-fluoro-1,2,3,4,4a,5-hexahydropyrido[2,3-f][1,7]naphthyridine (PubChem CID 175793506) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is (2R)-2-fluoro-1,2,3,4,4a,5-hexahydropyrido[2,3-f][1,7]naphthyridine.

Molecular Properties

Compound Name(2R)-2-fluoro-1,2,3,4,4a,5-hexahydropyrido[2,3-f][1,7]naphthyridine
PubChem CID175793506
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name(2R)-2-fluoro-1,2,3,4,4a,5-hexahydropyrido[2,3-f][1,7]naphthyridine
SMILESF[C@@H]1CCC2NC=c3ncccc3=C2N1
InChIInChI=1S/C11H12FN3/c12-10-4-3-8-11(15-10)7-2-1-5-13-9(7)6-14-8/h1-2,5-6,8,10,14-15H,3-4H2/t8?,10-/m0/s1
InChIKeyHUGCGOIKXXVEEF-HTLJXXAVSA-N
XLogP-0.42
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-1,2,3,4,4a,5-hexahydropyrido[2,3-f][1,7]naphthyridine?
The IUPAC name of (2R)-2-fluoro-1,2,3,4,4a,5-hexahydropyrido[2,3-f][1,7]naphthyridine (CID 175793506) is (2R)-2-fluoro-1,2,3,4,4a,5-hexahydropyrido[2,3-f][1,7]naphthyridine.
What is the SMILES notation for (2R)-2-fluoro-1,2,3,4,4a,5-hexahydropyrido[2,3-f][1,7]naphthyridine?
The canonical SMILES for (2R)-2-fluoro-1,2,3,4,4a,5-hexahydropyrido[2,3-f][1,7]naphthyridine is F[C@@H]1CCC2NC=c3ncccc3=C2N1.
What is the InChIKey of (2R)-2-fluoro-1,2,3,4,4a,5-hexahydropyrido[2,3-f][1,7]naphthyridine?
The InChIKey is HUGCGOIKXXVEEF-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H12FN3/c12-10-4-3-8-11(15-10)7-2-1-5-13-9(7)6-14-8/h1-2,5-6,8,10,14-15H,3-4H2/t8?,10-/m0/s1.
What are the key properties of (2R)-2-fluoro-1,2,3,4,4a,5-hexahydropyrido[2,3-f][1,7]naphthyridine?
(2R)-2-fluoro-1,2,3,4,4a,5-hexahydropyrido[2,3-f][1,7]naphthyridine has a molecular weight of 205.24 g/mol, XLogP of -0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-1,2,3,4,4a,5-hexahydropyrido[2,3-f][1,7]naphthyridine is sourced from PubChem (CID 175793506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).