4-[amino(difluoromethyl)amino]-8-chloro-1,2-dimethyl-2H-1,7-naphthyridin-3-amine

C11H14ClF2N5 — CID 172615782

IUPAC4-[amino(difluoromethyl)amino]-8-chloro-1,2-dimethyl-2H-1,7-naphthyridin-3-amine
SMILESCC1C(N)=C(N(N)C(F)F)c2ccnc(Cl)c2N1C
InChIInChI=1S/C11H14ClF2N5/c1-5-7(15)8(19(16)11(13)14)6-3-4-17-10(12)9(6)18(5)2/h3-5,11H,15-16H2,1-2H3
InChIKeyGCEVVAQJUCLCHF-UHFFFAOYSA-N
MW289.72 g/mol
LogP1.60
Rot. Bonds2

About 4-[amino(difluoromethyl)amino]-8-chloro-1,2-dimethyl-2H-1,7-naphthyridin-3-amine

4-[amino(difluoromethyl)amino]-8-chloro-1,2-dimethyl-2H-1,7-naphthyridin-3-amine (PubChem CID 172615782) has the molecular formula C11H14ClF2N5 and a molecular weight of 289.72 g/mol. Its IUPAC name is 4-[amino(difluoromethyl)amino]-8-chloro-1,2-dimethyl-2H-1,7-naphthyridin-3-amine.

Molecular Properties

Compound Name4-[amino(difluoromethyl)amino]-8-chloro-1,2-dimethyl-2H-1,7-naphthyridin-3-amine
PubChem CID172615782
Molecular FormulaC11H14ClF2N5
Molecular Weight289.72 g/mol
Exact Mass289.09
IUPAC Name4-[amino(difluoromethyl)amino]-8-chloro-1,2-dimethyl-2H-1,7-naphthyridin-3-amine
SMILESCC1C(N)=C(N(N)C(F)F)c2ccnc(Cl)c2N1C
InChIInChI=1S/C11H14ClF2N5/c1-5-7(15)8(19(16)11(13)14)6-3-4-17-10(12)9(6)18(5)2/h3-5,11H,15-16H2,1-2H3
InChIKeyGCEVVAQJUCLCHF-UHFFFAOYSA-N
XLogP1.60
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(difluoromethyl)amino]-8-chloro-1,2-dimethyl-2H-1,7-naphthyridin-3-amine?
The IUPAC name of 4-[amino(difluoromethyl)amino]-8-chloro-1,2-dimethyl-2H-1,7-naphthyridin-3-amine (CID 172615782) is 4-[amino(difluoromethyl)amino]-8-chloro-1,2-dimethyl-2H-1,7-naphthyridin-3-amine.
What is the SMILES notation for 4-[amino(difluoromethyl)amino]-8-chloro-1,2-dimethyl-2H-1,7-naphthyridin-3-amine?
The canonical SMILES for 4-[amino(difluoromethyl)amino]-8-chloro-1,2-dimethyl-2H-1,7-naphthyridin-3-amine is CC1C(N)=C(N(N)C(F)F)c2ccnc(Cl)c2N1C.
What is the InChIKey of 4-[amino(difluoromethyl)amino]-8-chloro-1,2-dimethyl-2H-1,7-naphthyridin-3-amine?
The InChIKey is GCEVVAQJUCLCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2N5/c1-5-7(15)8(19(16)11(13)14)6-3-4-17-10(12)9(6)18(5)2/h3-5,11H,15-16H2,1-2H3.
What are the key properties of 4-[amino(difluoromethyl)amino]-8-chloro-1,2-dimethyl-2H-1,7-naphthyridin-3-amine?
4-[amino(difluoromethyl)amino]-8-chloro-1,2-dimethyl-2H-1,7-naphthyridin-3-amine has a molecular weight of 289.72 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(difluoromethyl)amino]-8-chloro-1,2-dimethyl-2H-1,7-naphthyridin-3-amine is sourced from PubChem (CID 172615782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).