6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C13H11BrF3N3O — CID 90237804

IUPAC6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESCOCc1cc(Br)nc(Nc2cc(C(F)(F)F)ccn2)c1
InChIInChI=1S/C13H11BrF3N3O/c1-21-7-8-4-10(14)19-12(5-8)20-11-6-9(2-3-18-11)13(15,16)17/h2-6H,7H2,1H3,(H,18,19,20)
InChIKeyXBXRTMNIMQZSFP-UHFFFAOYSA-N
MW362.15 g/mol
LogP4.15
Rot. Bonds4

About 6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 90237804) has the molecular formula C13H11BrF3N3O and a molecular weight of 362.15 g/mol. Its IUPAC name is 6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID90237804
Molecular FormulaC13H11BrF3N3O
Molecular Weight362.15 g/mol
Exact Mass361.00
IUPAC Name6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESCOCc1cc(Br)nc(Nc2cc(C(F)(F)F)ccn2)c1
InChIInChI=1S/C13H11BrF3N3O/c1-21-7-8-4-10(14)19-12(5-8)20-11-6-9(2-3-18-11)13(15,16)17/h2-6H,7H2,1H3,(H,18,19,20)
InChIKeyXBXRTMNIMQZSFP-UHFFFAOYSA-N
XLogP4.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.15
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine 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 6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 90237804) is 6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is COCc1cc(Br)nc(Nc2cc(C(F)(F)F)ccn2)c1.
What is the InChIKey of 6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is XBXRTMNIMQZSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N3O/c1-21-7-8-4-10(14)19-12(5-8)20-11-6-9(2-3-18-11)13(15,16)17/h2-6H,7H2,1H3,(H,18,19,20).
What are the key properties of 6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 362.15 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(methoxymethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 90237804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).