3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine

C12H6BrF5N2 — CID 106877354

IUPAC3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
SMILESCc1ccnc(Nc2c(F)c(F)c(F)c(F)c2F)c1Br
InChIInChI=1S/C12H6BrF5N2/c1-4-2-3-19-12(5(4)13)20-11-9(17)7(15)6(14)8(16)10(11)18/h2-3H,1H3,(H,19,20)
InChIKeyAKPYQHAEJWLHBU-UHFFFAOYSA-N
MW353.09 g/mol
LogP4.59
Rot. Bonds2

About 3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine

3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine (PubChem CID 106877354) has the molecular formula C12H6BrF5N2 and a molecular weight of 353.09 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
PubChem CID106877354
Molecular FormulaC12H6BrF5N2
Molecular Weight353.09 g/mol
Exact Mass351.96
IUPAC Name3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
SMILESCc1ccnc(Nc2c(F)c(F)c(F)c(F)c2F)c1Br
InChIInChI=1S/C12H6BrF5N2/c1-4-2-3-19-12(5(4)13)20-11-9(17)7(15)6(14)8(16)10(11)18/h2-3H,1H3,(H,19,20)
InChIKeyAKPYQHAEJWLHBU-UHFFFAOYSA-N
XLogP4.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.09
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(3-fluoro-2-methylphenyl)-4-methylpyridin-2-amine
CID 106876933
3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine
CID 112734776
3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine
CID 106876946
3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine
CID 106876466
3-bromo-N-tert-butyl-4-methylpyridin-2-amine
CID 106876455
3-bromo-N-cyclopropyl-4-methylpyridin-2-amine
CID 97181175
3-bromo-4-methyl-N-(3-methylbutan-2-yl)pyridin-2-amine
CID 106875473
4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile
CID 106876502
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine
CID 106877436
3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
CID 106877332
3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine
CID 106876477
3-bromo-N-(3-chloro-2-methylbutan-2-yl)-4-methylpyridin-2-amine
CID 106879063

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine (CID 106877354) is 3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine is Cc1ccnc(Nc2c(F)c(F)c(F)c(F)c2F)c1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine?
The InChIKey is AKPYQHAEJWLHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF5N2/c1-4-2-3-19-12(5(4)13)20-11-9(17)7(15)6(14)8(16)10(11)18/h2-3H,1H3,(H,19,20).
What are the key properties of 3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine?
3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine has a molecular weight of 353.09 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine is sourced from PubChem (CID 106877354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).