cis-(1S,2S)-N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide

C12H9ClFN3O — CID 86674973

IUPACcis-(1S,2S)-N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cnc(Cl)cc2cn1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C12H9ClFN3O/c13-10-1-6-5-16-11(2-7(6)4-15-10)17-12(18)8-3-9(8)14/h1-2,4-5,8-9H,3H2,(H,16,17,18)/t8-,9+/m1/s1
InChIKeySZRVIMYLMGNHQM-BDAKNGLRSA-N
MW265.68 g/mol
LogP2.58
Rot. Bonds2

About cis-(1S,2S)-N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide (PubChem CID 86674973) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is cis-(1S,2S)-N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
PubChem CID86674973
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC Namecis-(1S,2S)-N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cnc(Cl)cc2cn1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C12H9ClFN3O/c13-10-1-6-5-16-11(2-7(6)4-15-10)17-12(18)8-3-9(8)14/h1-2,4-5,8-9H,3H2,(H,16,17,18)/t8-,9+/m1/s1
InChIKeySZRVIMYLMGNHQM-BDAKNGLRSA-N
XLogP2.58
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide (CID 86674973) is cis-(1S,2S)-N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide is O=C(Nc1cc2cnc(Cl)cc2cn1)[C@@H]1C[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide?
The InChIKey is SZRVIMYLMGNHQM-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-10-1-6-5-16-11(2-7(6)4-15-10)17-12(18)8-3-9(8)14/h1-2,4-5,8-9H,3H2,(H,16,17,18)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2S)-N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide has a molecular weight of 265.68 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 86674973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).