trans-(1S,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide

C12H8Cl2FN3O — CID 135344943

IUPACtrans-(1S,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cc(Cl)nc(Cl)c2cn1)[C@@H]1C[C@H]1F
InChIInChI=1S/C12H8Cl2FN3O/c13-9-1-5-2-10(16-4-7(5)11(14)17-9)18-12(19)6-3-8(6)15/h1-2,4,6,8H,3H2,(H,16,18,19)/t6-,8-/m1/s1
InChIKeyIAYGKSGKXUGKAS-HTRCEHHLSA-N
MW300.12 g/mol
LogP3.23
Rot. Bonds2

About trans-(1S,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide

trans-(1S,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide (PubChem CID 135344943) has the molecular formula C12H8Cl2FN3O and a molecular weight of 300.12 g/mol. Its IUPAC name is trans-(1S,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
PubChem CID135344943
Molecular FormulaC12H8Cl2FN3O
Molecular Weight300.12 g/mol
Exact Mass299.00
IUPAC Nametrans-(1S,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cc(Cl)nc(Cl)c2cn1)[C@@H]1C[C@H]1F
InChIInChI=1S/C12H8Cl2FN3O/c13-9-1-5-2-10(16-4-7(5)11(14)17-9)18-12(19)6-3-8(6)15/h1-2,4,6,8H,3H2,(H,16,18,19)/t6-,8-/m1/s1
InChIKeyIAYGKSGKXUGKAS-HTRCEHHLSA-N
XLogP3.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trans-(1S,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide (CID 135344943) is trans-(1S,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide is O=C(Nc1cc2cc(Cl)nc(Cl)c2cn1)[C@@H]1C[C@H]1F.
What is the InChIKey of trans-(1S,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide?
The InChIKey is IAYGKSGKXUGKAS-HTRCEHHLSA-N. The full InChI is InChI=1S/C12H8Cl2FN3O/c13-9-1-5-2-10(16-4-7(5)11(14)17-9)18-12(19)6-3-8(6)15/h1-2,4,6,8H,3H2,(H,16,18,19)/t6-,8-/m1/s1.
What are the key properties of trans-(1S,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide?
trans-(1S,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide has a molecular weight of 300.12 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 135344943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).