[2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine

C7H7BrF2N2 — CID 130095088

IUPAC[2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(C(F)F)nc1Br
InChIInChI=1S/C7H7BrF2N2/c8-6-4(3-11)1-2-5(12-6)7(9)10/h1-2,7H,3,11H2
InChIKeyMWSJBYULVKKCKT-UHFFFAOYSA-N
MW237.05 g/mol
LogP2.24
Rot. Bonds2

About [2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine

[2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine (PubChem CID 130095088) has the molecular formula C7H7BrF2N2 and a molecular weight of 237.05 g/mol. Its IUPAC name is [2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine
PubChem CID130095088
Molecular FormulaC7H7BrF2N2
Molecular Weight237.05 g/mol
Exact Mass235.98
IUPAC Name[2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1ccc(C(F)F)nc1Br
InChIInChI=1S/C7H7BrF2N2/c8-6-4(3-11)1-2-5(12-6)7(9)10/h1-2,7H,3,11H2
InChIKeyMWSJBYULVKKCKT-UHFFFAOYSA-N
XLogP2.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.05
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-bromo-6-(difluoromethyl)-3-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

2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119017114
4-(aminomethyl)-2-bromo-6-(difluoromethyl)pyridin-3-amine
CID 130101865
[2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine
CID 130068220
ethyl 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134672936
3-(aminomethyl)-6-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130098092
2-[4-(aminomethyl)-2-bromo-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118812910
[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol
CID 130070073
2-[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]acetic acid
CID 134673859
[2-bromo-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089420
[6-(difluoromethyl)-2-pyridinyl]methanamine
CID 84650730
methyl 2-[4-(aminomethyl)-2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134667557
[3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine
CID 118823517

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine (CID 130095088) is [2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine is NCc1ccc(C(F)F)nc1Br.
What is the InChIKey of [2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is MWSJBYULVKKCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2/c8-6-4(3-11)1-2-5(12-6)7(9)10/h1-2,7H,3,11H2.
What are the key properties of [2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine?
[2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 237.05 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 130095088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).