2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine

C13H11BrF3N3O — CID 107335763

IUPAC2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine
SMILESCc1nc(Nc2ccc(OC(F)(F)F)c(Br)c2)ccc1N
InChIInChI=1S/C13H11BrF3N3O/c1-7-10(18)3-5-12(19-7)20-8-2-4-11(9(14)6-8)21-13(15,16)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyZFZHSPYSMYERSA-UHFFFAOYSA-N
MW362.15 g/mol
LogP4.38
Rot. Bonds3

About 2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine

2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine (PubChem CID 107335763) has the molecular formula C13H11BrF3N3O and a molecular weight of 362.15 g/mol. Its IUPAC name is 2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine
PubChem CID107335763
Molecular FormulaC13H11BrF3N3O
Molecular Weight362.15 g/mol
Exact Mass361.00
IUPAC Name2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine
SMILESCc1nc(Nc2ccc(OC(F)(F)F)c(Br)c2)ccc1N
InChIInChI=1S/C13H11BrF3N3O/c1-7-10(18)3-5-12(19-7)20-8-2-4-11(9(14)6-8)21-13(15,16)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyZFZHSPYSMYERSA-UHFFFAOYSA-N
XLogP4.38
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.15
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[3-bromo-4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 107336858
N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-chloropyridin-2-amine
CID 107336659
2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-methylbenzene-1,2-diamine
CID 107335791
2-N-[3-bromo-4-(trifluoromethoxy)phenyl]pyrimidine-2,5-diamine
CID 107335782
3-N-[3-bromo-4-(trifluoromethoxy)phenyl]pyrazine-2,3-diamine
CID 107336862
[3-bromo-4-(trifluoromethoxy)phenyl]hydrazine
CID 118818953
1-N-[3-bromo-4-(trifluoromethoxy)phenyl]-4-iodobenzene-1,2-diamine
CID 107335757
2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine
CID 103410626
4-[(5-amino-6-methyl-2-pyridinyl)amino]phenol
CID 82061104
[3-bromo-4-(trifluoromethoxy)phenyl]carbamic acid
CID 23139549
2-N-(1,3-benzothiazol-6-yl)-6-methylpyridine-2,5-diamine
CID 107802793
6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine
CID 104775528

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine (CID 107335763) is 2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine is Cc1nc(Nc2ccc(OC(F)(F)F)c(Br)c2)ccc1N.
What is the InChIKey of 2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine?
The InChIKey is ZFZHSPYSMYERSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N3O/c1-7-10(18)3-5-12(19-7)20-8-2-4-11(9(14)6-8)21-13(15,16)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine?
2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine has a molecular weight of 362.15 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-6-methylpyridine-2,5-diamine is sourced from PubChem (CID 107335763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).