[2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine

C7H6BrF2IN2 — CID 130068220

IUPAC[2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine
SMILESNCc1cc(C(F)F)nc(Br)c1I
InChIInChI=1S/C7H6BrF2IN2/c8-6-5(11)3(2-12)1-4(13-6)7(9)10/h1,7H,2,12H2
InChIKeyXJBLYEJKWMZWHA-UHFFFAOYSA-N
MW362.94 g/mol
LogP2.85
Rot. Bonds2

About [2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine

[2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine (PubChem CID 130068220) has the molecular formula C7H6BrF2IN2 and a molecular weight of 362.94 g/mol. Its IUPAC name is [2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine
PubChem CID130068220
Molecular FormulaC7H6BrF2IN2
Molecular Weight362.94 g/mol
Exact Mass361.87
IUPAC Name[2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine
SMILESNCc1cc(C(F)F)nc(Br)c1I
InChIInChI=1S/C7H6BrF2IN2/c8-6-5(11)3(2-12)1-4(13-6)7(9)10/h1,7H,2,12H2
InChIKeyXJBLYEJKWMZWHA-UHFFFAOYSA-N
XLogP2.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.94
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-2-bromo-6-(difluoromethyl)pyridin-3-amine
CID 130101865
[6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine
CID 118852482
[6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086829
[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]methanol
CID 130070073
2-[4-(aminomethyl)-2-bromo-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118812910
2-[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]acetic acid
CID 134673859
[2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine
CID 130095088
[6-(difluoromethyl)-3-iodo-2-nitro-4-pyridinyl]methanamine
CID 118817999
methyl 2-[4-(aminomethyl)-2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134667557
4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine
CID 119010652
[6-(difluoromethyl)-3-fluoro-2-methyl-4-pyridinyl]methanamine
CID 118834888
4-(aminomethyl)-2-chloro-6-(difluoromethyl)pyridin-3-amine
CID 130102646

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine?
The IUPAC name of [2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine (CID 130068220) is [2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine.
What is the SMILES notation for [2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine?
The canonical SMILES for [2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine is NCc1cc(C(F)F)nc(Br)c1I.
What is the InChIKey of [2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine?
The InChIKey is XJBLYEJKWMZWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2IN2/c8-6-5(11)3(2-12)1-4(13-6)7(9)10/h1,7H,2,12H2.
What are the key properties of [2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine?
[2-bromo-6-(difluoromethyl)-3-iodo-4-pyridinyl]methanamine has a molecular weight of 362.94 g/mol, XLogP of 2.85, 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-iodo-4-pyridinyl]methanamine is sourced from PubChem (CID 130068220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).