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

C7H6BrF2IN2 — CID 118817949

IUPAC[5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine
SMILESNCc1c(Br)cnc(I)c1C(F)F
InChIInChI=1S/C7H6BrF2IN2/c8-4-2-13-7(11)5(6(9)10)3(4)1-12/h2,6H,1,12H2
InChIKeyFVLHEYOXCSTIDG-UHFFFAOYSA-N
MW362.94 g/mol
LogP2.85
Rot. Bonds2

About [5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine

[5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine (PubChem CID 118817949) has the molecular formula C7H6BrF2IN2 and a molecular weight of 362.94 g/mol. Its IUPAC name is [5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine
PubChem CID118817949
Molecular FormulaC7H6BrF2IN2
Molecular Weight362.94 g/mol
Exact Mass361.87
IUPAC Name[5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine
SMILESNCc1c(Br)cnc(I)c1C(F)F
InChIInChI=1S/C7H6BrF2IN2/c8-4-2-13-7(11)5(6(9)10)3(4)1-12/h2,6H,1,12H2
InChIKeyFVLHEYOXCSTIDG-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

[3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine
CID 130085536
5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine
CID 130105277
[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118836836
[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]methanamine
CID 130085961
[5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine
CID 130100567
5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol
CID 130082590
ethyl 4-(aminomethyl)-5-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100691
2-[5-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 133101298
ethyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133100614
2-[5-bromo-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 130068482
5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide
CID 130068606
[4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 118824248

Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine?
The IUPAC name of [5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine (CID 118817949) is [5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine.
What is the SMILES notation for [5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine?
The canonical SMILES for [5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine is NCc1c(Br)cnc(I)c1C(F)F.
What is the InChIKey of [5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine?
The InChIKey is FVLHEYOXCSTIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2IN2/c8-4-2-13-7(11)5(6(9)10)3(4)1-12/h2,6H,1,12H2.
What are the key properties of [5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine?
[5-bromo-3-(difluoromethyl)-2-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 [5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine is sourced from PubChem (CID 118817949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).