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

C8H9F2IN2O — CID 130085534

IUPAC[2-(difluoromethyl)-6-iodo-3-methoxy-4-pyridinyl]methanamine
SMILESCOc1c(CN)cc(I)nc1C(F)F
InChIInChI=1S/C8H9F2IN2O/c1-14-7-4(3-12)2-5(11)13-6(7)8(9)10/h2,8H,3,12H2,1H3
InChIKeyKZTHXVNEXNKPPI-UHFFFAOYSA-N
MW314.07 g/mol
LogP2.09
Rot. Bonds3

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

[2-(difluoromethyl)-6-iodo-3-methoxy-4-pyridinyl]methanamine (PubChem CID 130085534) has the molecular formula C8H9F2IN2O and a molecular weight of 314.07 g/mol. Its IUPAC name is [2-(difluoromethyl)-6-iodo-3-methoxy-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(difluoromethyl)-6-iodo-3-methoxy-4-pyridinyl]methanamine
PubChem CID130085534
Molecular FormulaC8H9F2IN2O
Molecular Weight314.07 g/mol
Exact Mass313.97
IUPAC Name[2-(difluoromethyl)-6-iodo-3-methoxy-4-pyridinyl]methanamine
SMILESCOc1c(CN)cc(I)nc1C(F)F
InChIInChI=1S/C8H9F2IN2O/c1-14-7-4(3-12)2-5(11)13-6(7)8(9)10/h2,8H,3,12H2,1H3
InChIKeyKZTHXVNEXNKPPI-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

2-(difluoromethyl)-6-iodo-3,4-dimethoxypyridine
CID 118842846
[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 134678172
methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085156
[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]methanamine
CID 130085511
ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085207
4-(aminomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carbaldehyde
CID 118812768
[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine
CID 130085543
2-[6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 133085230
[6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)-2-pyridinyl]methanamine
CID 133084888
[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807180
ethyl 2-[2-(difluoromethyl)-3,6-diiodo-4-pyridinyl]acetate
CID 134661762
2-(difluoromethyl)-6-iodo-4-methoxypyridine-3-sulfonamide
CID 119008795

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-6-iodo-3-methoxy-4-pyridinyl]methanamine?
The IUPAC name of [2-(difluoromethyl)-6-iodo-3-methoxy-4-pyridinyl]methanamine (CID 130085534) is [2-(difluoromethyl)-6-iodo-3-methoxy-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(difluoromethyl)-6-iodo-3-methoxy-4-pyridinyl]methanamine?
The canonical SMILES for [2-(difluoromethyl)-6-iodo-3-methoxy-4-pyridinyl]methanamine is COc1c(CN)cc(I)nc1C(F)F.
What is the InChIKey of [2-(difluoromethyl)-6-iodo-3-methoxy-4-pyridinyl]methanamine?
The InChIKey is KZTHXVNEXNKPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2IN2O/c1-14-7-4(3-12)2-5(11)13-6(7)8(9)10/h2,8H,3,12H2,1H3.
What are the key properties of [2-(difluoromethyl)-6-iodo-3-methoxy-4-pyridinyl]methanamine?
[2-(difluoromethyl)-6-iodo-3-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 [2-(difluoromethyl)-6-iodo-3-methoxy-4-pyridinyl]methanamine is sourced from PubChem (CID 130085534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).