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

C8H9F2IN2O — CID 130085543

IUPAC[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine
SMILESCOc1cc(CN)c(I)nc1C(F)F
InChIInChI=1S/C8H9F2IN2O/c1-14-5-2-4(3-12)8(11)13-6(5)7(9)10/h2,7H,3,12H2,1H3
InChIKeySFICWHJTCLJZMH-UHFFFAOYSA-N
MW314.07 g/mol
LogP2.09
Rot. Bonds3

About [6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine

[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine (PubChem CID 130085543) has the molecular formula C8H9F2IN2O and a molecular weight of 314.07 g/mol. Its IUPAC name is [6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine
PubChem CID130085543
Molecular FormulaC8H9F2IN2O
Molecular Weight314.07 g/mol
Exact Mass313.97
IUPAC Name[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine
SMILESCOc1cc(CN)c(I)nc1C(F)F
InChIInChI=1S/C8H9F2IN2O/c1-14-5-2-4(3-12)8(11)13-6(5)7(9)10/h2,7H,3,12H2,1H3
InChIKeySFICWHJTCLJZMH-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

methyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate
CID 133102111
methyl 2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133101263
[2-(difluoromethyl)-6-iodo-3-methoxy-4-pyridinyl]methanamine
CID 130085534
[2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666898
[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine
CID 130100564
2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130086873
methyl 2-[2-(difluoromethyl)-6-iodo-5-methoxy-3-pyridinyl]acetate
CID 133102034
[4-(difluoromethyl)-2,5-dimethoxyphenyl]methanamine
CID 84682512
2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine
CID 118826386
[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]methanamine
CID 130085511
[6-(difluoromethyl)-5-methoxy-2-methyl-3-pyridinyl]methanol
CID 118831655
methyl 5-(aminomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carboxylate
CID 133100242

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine?
The IUPAC name of [6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine (CID 130085543) is [6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine?
The canonical SMILES for [6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine is COc1cc(CN)c(I)nc1C(F)F.
What is the InChIKey of [6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine?
The InChIKey is SFICWHJTCLJZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2IN2O/c1-14-5-2-4(3-12)8(11)13-6(5)7(9)10/h2,7H,3,12H2,1H3.
What are the key properties of [6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine?
[6-(difluoromethyl)-2-iodo-5-methoxy-3-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 [6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine is sourced from PubChem (CID 130085543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).