N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide

C12H7Cl2F2N3O — CID 135344693

IUPACN-(6,8-dichloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cc(Cl)nc(Cl)c2cn1)C1CC1(F)F
InChIInChI=1S/C12H7Cl2F2N3O/c13-8-1-5-2-9(17-4-6(5)10(14)18-8)19-11(20)7-3-12(7,15)16/h1-2,4,7H,3H2,(H,17,19,20)
InChIKeyBIMLMPHONYRYHN-UHFFFAOYSA-N
MW318.11 g/mol
LogP3.53
Rot. Bonds2

About N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide

N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 135344693) has the molecular formula C12H7Cl2F2N3O and a molecular weight of 318.11 g/mol. Its IUPAC name is N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(6,8-dichloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide
PubChem CID135344693
Molecular FormulaC12H7Cl2F2N3O
Molecular Weight318.11 g/mol
Exact Mass316.99
IUPAC NameN-(6,8-dichloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cc(Cl)nc(Cl)c2cn1)C1CC1(F)F
InChIInChI=1S/C12H7Cl2F2N3O/c13-8-1-5-2-9(17-4-6(5)10(14)18-8)19-11(20)7-3-12(7,15)16/h1-2,4,7H,3H2,(H,17,19,20)
InChIKeyBIMLMPHONYRYHN-UHFFFAOYSA-N
XLogP3.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.11
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-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 N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide (CID 135344693) is N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide is O=C(Nc1cc2cc(Cl)nc(Cl)c2cn1)C1CC1(F)F.
What is the InChIKey of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is BIMLMPHONYRYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F2N3O/c13-8-1-5-2-9(17-4-6(5)10(14)18-8)19-11(20)7-3-12(7,15)16/h1-2,4,7H,3H2,(H,17,19,20).
What are the key properties of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide?
N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 318.11 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 135344693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).