2-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]aniline

C13H12BrF2N3 — CID 106945317

IUPAC2-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]aniline
SMILESNNC(c1ccccc1N)c1c(F)ccc(Br)c1F
InChIInChI=1S/C13H12BrF2N3/c14-8-5-6-9(15)11(12(8)16)13(19-18)7-3-1-2-4-10(7)17/h1-6,13,19H,17-18H2
InChIKeyYBDUXRPEMPQGAS-UHFFFAOYSA-N
MW328.16 g/mol
LogP2.86
Rot. Bonds3

About 2-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]aniline

2-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]aniline (PubChem CID 106945317) has the molecular formula C13H12BrF2N3 and a molecular weight of 328.16 g/mol. Its IUPAC name is 2-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]aniline.

Molecular Properties

Compound Name2-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]aniline
PubChem CID106945317
Molecular FormulaC13H12BrF2N3
Molecular Weight328.16 g/mol
Exact Mass327.02
IUPAC Name2-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]aniline
SMILESNNC(c1ccccc1N)c1c(F)ccc(Br)c1F
InChIInChI=1S/C13H12BrF2N3/c14-8-5-6-9(15)11(12(8)16)13(19-18)7-3-1-2-4-10(7)17/h1-6,13,19H,17-18H2
InChIKeyYBDUXRPEMPQGAS-UHFFFAOYSA-N
XLogP2.86
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine
CID 106945251
[(3-bromo-2,6-difluorophenyl)-(2-chloro-3-methylphenyl)methyl]hydrazine
CID 106945494
[(3-bromo-2,6-difluorophenyl)-(2-bromo-4-fluorophenyl)methyl]hydrazine
CID 106945532
[(3-bromo-2-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]hydrazine
CID 106649829
[(3-bromo-2,6-difluorophenyl)-(2-methoxy-3-pyridinyl)methyl]hydrazine
CID 106945571
[(3-bromo-2,6-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 106945408
[1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]hydrazine
CID 106945433
[(3-bromo-2,6-difluorophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 106945260
1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 106944665
[(3-bromo-2,6-difluorophenyl)-(2-methyl-4-pyridinyl)methyl]hydrazine
CID 106945509
2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline
CID 107292299
[(2-bromo-5-iodophenyl)-(2,3-difluorophenyl)methyl]hydrazine
CID 114027355

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]aniline?
The IUPAC name of 2-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]aniline (CID 106945317) is 2-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]aniline.
What is the SMILES notation for 2-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]aniline?
The canonical SMILES for 2-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]aniline is NNC(c1ccccc1N)c1c(F)ccc(Br)c1F.
What is the InChIKey of 2-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]aniline?
The InChIKey is YBDUXRPEMPQGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2N3/c14-8-5-6-9(15)11(12(8)16)13(19-18)7-3-1-2-4-10(7)17/h1-6,13,19H,17-18H2.
What are the key properties of 2-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]aniline?
2-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]aniline has a molecular weight of 328.16 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2,6-difluorophenyl)-hydrazinylmethyl]aniline is sourced from PubChem (CID 106945317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).