6-bromo-3-fluoro-4-methyl-5-(trifluoromethyl)pyridin-2-amine

C7H5BrF4N2 — CID 170679642

IUPAC6-bromo-3-fluoro-4-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1c(F)c(N)nc(Br)c1C(F)(F)F
InChIInChI=1S/C7H5BrF4N2/c1-2-3(7(10,11)12)5(8)14-6(13)4(2)9/h1H3,(H2,13,14)
InChIKeyITAJAZSCCXTBJH-UHFFFAOYSA-N
MW273.03 g/mol
LogP2.89
Rot. Bonds

About 6-bromo-3-fluoro-4-methyl-5-(trifluoromethyl)pyridin-2-amine

6-bromo-3-fluoro-4-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 170679642) has the molecular formula C7H5BrF4N2 and a molecular weight of 273.03 g/mol. Its IUPAC name is 6-bromo-3-fluoro-4-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-fluoro-4-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID170679642
Molecular FormulaC7H5BrF4N2
Molecular Weight273.03 g/mol
Exact Mass271.96
IUPAC Name6-bromo-3-fluoro-4-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1c(F)c(N)nc(Br)c1C(F)(F)F
InChIInChI=1S/C7H5BrF4N2/c1-2-3(7(10,11)12)5(8)14-6(13)4(2)9/h1H3,(H2,13,14)
InChIKeyITAJAZSCCXTBJH-UHFFFAOYSA-N
XLogP2.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.03
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4,6-trimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 176974728
2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline
CID 71327551
1,2,4-trifluoro-3,5-dimethyl-6-(trifluoromethyl)benzene
CID 146848679
1-bromo-4,5-difluoro-3-methyl-2-(trifluoromethyl)benzene
CID 170917204
4,6-dimethyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 177041669
6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 118995559
6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)pyridine
CID 83488601
2,4,5-trimethyl-3-(trifluoromethyl)aniline
CID 175281505
3-bromo-2,4,6-trifluoro-5-methylaniline
CID 77134473
2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine
CID 167619078
3,6-dibromo-4,5-bis(trifluoromethyl)benzene-1,2-diamine
CID 175668720
2-bromo-4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine
CID 130109578

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-bromo-3-fluoro-4-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 170679642) is 6-bromo-3-fluoro-4-methyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-fluoro-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-3-fluoro-4-methyl-5-(trifluoromethyl)pyridin-2-amine is Cc1c(F)c(N)nc(Br)c1C(F)(F)F.
What is the InChIKey of 6-bromo-3-fluoro-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ITAJAZSCCXTBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF4N2/c1-2-3(7(10,11)12)5(8)14-6(13)4(2)9/h1H3,(H2,13,14).
What are the key properties of 6-bromo-3-fluoro-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
6-bromo-3-fluoro-4-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 273.03 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-4-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 170679642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).