[5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine

C7H6F2I2N2 — CID 130100567

IUPAC[5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine
SMILESNCc1c(I)ncc(C(F)F)c1I
InChIInChI=1S/C7H6F2I2N2/c8-6(9)4-2-13-7(11)3(1-12)5(4)10/h2,6H,1,12H2
InChIKeyFDMMFBRMIBKGAW-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.69
Rot. Bonds2

About [5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine

[5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine (PubChem CID 130100567) has the molecular formula C7H6F2I2N2 and a molecular weight of 409.94 g/mol. Its IUPAC name is [5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine
PubChem CID130100567
Molecular FormulaC7H6F2I2N2
Molecular Weight409.94 g/mol
Exact Mass409.86
IUPAC Name[5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine
SMILESNCc1c(I)ncc(C(F)F)c1I
InChIInChI=1S/C7H6F2I2N2/c8-6(9)4-2-13-7(11)3(1-12)5(4)10/h2,6H,1,12H2
InChIKeyFDMMFBRMIBKGAW-UHFFFAOYSA-N
XLogP2.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.69
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

5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine
CID 130105277
[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]methanamine
CID 130085961
[5-(difluoromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134660996
[5-(difluoromethyl)-3,4-diiodo-2-pyridinyl]methanamine
CID 118848069
2-[5-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 133101298
[5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine
CID 118817949
5-(difluoromethyl)-3-fluoro-2,4-diiodopyridine
CID 130100477
4-(aminomethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 118823555
[5-(difluoromethyl)-4-fluoro-2-iodo-3-pyridinyl]methanol
CID 130080191
3-(bromomethyl)-5-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130080023
[3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine
CID 130085536
3-(bromomethyl)-5-(difluoromethyl)-2-iodopyridine-4-carboxylic acid
CID 130087232

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine?
The IUPAC name of [5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine (CID 130100567) is [5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine.
What is the SMILES notation for [5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine?
The canonical SMILES for [5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine is NCc1c(I)ncc(C(F)F)c1I.
What is the InChIKey of [5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine?
The InChIKey is FDMMFBRMIBKGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2I2N2/c8-6(9)4-2-13-7(11)3(1-12)5(4)10/h2,6H,1,12H2.
What are the key properties of [5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine?
[5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine has a molecular weight of 409.94 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine is sourced from PubChem (CID 130100567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).