[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine

C7H6Br2F2N2 — CID 130098957

IUPAC[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(C(F)F)c(Br)c(Br)n1
InChIInChI=1S/C7H6Br2F2N2/c8-5-4(7(10)11)1-3(2-12)13-6(5)9/h1,7H,2,12H2
InChIKeyIFTYVHSVUYDDFM-UHFFFAOYSA-N
MW315.94 g/mol
LogP3.00
Rot. Bonds2

About [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine

[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine (PubChem CID 130098957) has the molecular formula C7H6Br2F2N2 and a molecular weight of 315.94 g/mol. Its IUPAC name is [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine
PubChem CID130098957
Molecular FormulaC7H6Br2F2N2
Molecular Weight315.94 g/mol
Exact Mass313.89
IUPAC Name[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1cc(C(F)F)c(Br)c(Br)n1
InChIInChI=1S/C7H6Br2F2N2/c8-5-4(7(10)11)1-3(2-12)13-6(5)9/h1,7H,2,12H2
InChIKeyIFTYVHSVUYDDFM-UHFFFAOYSA-N
XLogP3.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.94
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol
CID 118803957
[6-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 130069997
[6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130068701
methyl 6-(aminomethyl)-2-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134673656
[3-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]methanamine
CID 118848182
[4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 130080557
[5-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine
CID 130071688
6-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol
CID 130082575
2,6-dibromo-3-(bromomethyl)-5-(difluoromethyl)pyridine
CID 130098992
[6-bromo-4-(difluoromethyl)-2-pyridinyl]methanamine
CID 118831489
[6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130073705
[6-(aminomethyl)-3-chloro-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130074984

Frequently Asked Questions

What is the IUPAC name of [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine (CID 130098957) is [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine is NCc1cc(C(F)F)c(Br)c(Br)n1.
What is the InChIKey of [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is IFTYVHSVUYDDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2F2N2/c8-5-4(7(10)11)1-3(2-12)13-6(5)9/h1,7H,2,12H2.
What are the key properties of [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine?
[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 315.94 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 130098957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).