2-[6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridin-4-yl]propan-2-amine

C14H15ClF3N3O — CID 167261585

IUPAC2-[6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridin-4-yl]propan-2-amine
SMILESCC(Oc1ncc(C(C)(C)N)c2cc(Cl)ncc12)C(F)(F)F
InChIInChI=1S/C14H15ClF3N3O/c1-7(14(16,17)18)22-12-9-5-20-11(15)4-8(9)10(6-21-12)13(2,3)19/h4-7H,19H2,1-3H3
InChIKeyQEOSSIKVBSIHDA-UHFFFAOYSA-N
MW333.74 g/mol
LogP3.81
Rot. Bonds3

About 2-[6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridin-4-yl]propan-2-amine

2-[6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridin-4-yl]propan-2-amine (PubChem CID 167261585) has the molecular formula C14H15ClF3N3O and a molecular weight of 333.74 g/mol. Its IUPAC name is 2-[6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridin-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridin-4-yl]propan-2-amine
PubChem CID167261585
Molecular FormulaC14H15ClF3N3O
Molecular Weight333.74 g/mol
Exact Mass333.09
IUPAC Name2-[6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridin-4-yl]propan-2-amine
SMILESCC(Oc1ncc(C(C)(C)N)c2cc(Cl)ncc12)C(F)(F)F
InChIInChI=1S/C14H15ClF3N3O/c1-7(14(16,17)18)22-12-9-5-20-11(15)4-8(9)10(6-21-12)13(2,3)19/h4-7H,19H2,1-3H3
InChIKeyQEOSSIKVBSIHDA-UHFFFAOYSA-N
XLogP3.81
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.74
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridin-4-yl]propan-2-amine?
The IUPAC name of 2-[6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridin-4-yl]propan-2-amine (CID 167261585) is 2-[6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridin-4-yl]propan-2-amine.
What is the SMILES notation for 2-[6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridin-4-yl]propan-2-amine?
The canonical SMILES for 2-[6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridin-4-yl]propan-2-amine is CC(Oc1ncc(C(C)(C)N)c2cc(Cl)ncc12)C(F)(F)F.
What is the InChIKey of 2-[6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridin-4-yl]propan-2-amine?
The InChIKey is QEOSSIKVBSIHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3O/c1-7(14(16,17)18)22-12-9-5-20-11(15)4-8(9)10(6-21-12)13(2,3)19/h4-7H,19H2,1-3H3.
What are the key properties of 2-[6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridin-4-yl]propan-2-amine?
2-[6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridin-4-yl]propan-2-amine has a molecular weight of 333.74 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)-2,7-naphthyridin-4-yl]propan-2-amine is sourced from PubChem (CID 167261585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).