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

C8H9F2IN2O — CID 130085536

IUPAC[3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine
SMILESCOc1cnc(I)c(C(F)F)c1CN
InChIInChI=1S/C8H9F2IN2O/c1-14-5-3-13-8(11)6(7(9)10)4(5)2-12/h3,7H,2,12H2,1H3
InChIKeyZIJSSFOSDVWMFR-UHFFFAOYSA-N
MW314.07 g/mol
LogP2.09
Rot. Bonds3

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

[3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine (PubChem CID 130085536) has the molecular formula C8H9F2IN2O and a molecular weight of 314.07 g/mol. Its IUPAC name is [3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine
PubChem CID130085536
Molecular FormulaC8H9F2IN2O
Molecular Weight314.07 g/mol
Exact Mass313.97
IUPAC Name[3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine
SMILESCOc1cnc(I)c(C(F)F)c1CN
InChIInChI=1S/C8H9F2IN2O/c1-14-5-3-13-8(11)6(7(9)10)4(5)2-12/h3,7H,2,12H2,1H3
InChIKeyZIJSSFOSDVWMFR-UHFFFAOYSA-N
XLogP2.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.07
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine
CID 130085587
[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]methanamine
CID 118841033
[5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine
CID 118817949
[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]methanamine
CID 130085961
[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol
CID 133084962
ethyl 2-[4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 133085357
ethyl 4-(aminomethyl)-5-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100691
ethyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133100614
5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine
CID 130105277
[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol
CID 130085739
methyl 2-[4-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate
CID 133101449
[2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 133084908

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine?
The IUPAC name of [3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine (CID 130085536) is [3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine.
What is the SMILES notation for [3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine?
The canonical SMILES for [3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine is COc1cnc(I)c(C(F)F)c1CN.
What is the InChIKey of [3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine?
The InChIKey is ZIJSSFOSDVWMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2IN2O/c1-14-5-3-13-8(11)6(7(9)10)4(5)2-12/h3,7H,2,12H2,1H3.
What are the key properties of [3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine?
[3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine has a molecular weight of 314.07 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-2-iodo-5-methoxy-4-pyridinyl]methanamine is sourced from PubChem (CID 130085536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).