N-(2-bromo-5-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine

C13H12BrF3N4 — CID 102721054

IUPACN-(2-bromo-5-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(Br)c(Nc2cc(C(F)(F)F)cc(NN)n2)c1
InChIInChI=1S/C13H12BrF3N4/c1-7-2-3-9(14)10(4-7)19-11-5-8(13(15,16)17)6-12(20-11)21-18/h2-6H,18H2,1H3,(H2,19,20,21)
InChIKeyNBVZNFAUWUDVBN-UHFFFAOYSA-N
MW361.17 g/mol
LogP4.20
Rot. Bonds3

About N-(2-bromo-5-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine

N-(2-bromo-5-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102721054) has the molecular formula C13H12BrF3N4 and a molecular weight of 361.17 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102721054
Molecular FormulaC13H12BrF3N4
Molecular Weight361.17 g/mol
Exact Mass360.02
IUPAC NameN-(2-bromo-5-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1ccc(Br)c(Nc2cc(C(F)(F)F)cc(NN)n2)c1
InChIInChI=1S/C13H12BrF3N4/c1-7-2-3-9(14)10(4-7)19-11-5-8(13(15,16)17)6-12(20-11)21-18/h2-6H,18H2,1H3,(H2,19,20,21)
InChIKeyNBVZNFAUWUDVBN-UHFFFAOYSA-N
XLogP4.20
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.17
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-5-methylphenyl)-6-hydrazinylpyrazin-2-amine
CID 82758106
N-(3-bromo-4-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720734
N-(3-chloro-2-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720917
N-(2-fluoro-5-methylphenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775814
N-(2,4-difluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720931
N-(2-bromo-5-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 107639608
4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 82759241
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720564
N-(2-bromo-5-fluorophenyl)-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 107637179
(2-bromo-5-methylphenyl)hydrazine
CID 12891837
[6-(2,5-dimethylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721260
N-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 82766798

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-bromo-5-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine (CID 102721054) is N-(2-bromo-5-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine is Cc1ccc(Br)c(Nc2cc(C(F)(F)F)cc(NN)n2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NBVZNFAUWUDVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3N4/c1-7-2-3-9(14)10(4-7)19-11-5-8(13(15,16)17)6-12(20-11)21-18/h2-6H,18H2,1H3,(H2,19,20,21).
What are the key properties of N-(2-bromo-5-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine?
N-(2-bromo-5-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 361.17 g/mol, XLogP of 4.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102721054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).