[2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol

C8H9F2IN2O — CID 118848266

IUPAC[2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol
SMILESNCc1nc(I)cc(C(F)F)c1CO
InChIInChI=1S/C8H9F2IN2O/c9-8(10)4-1-7(11)13-6(2-12)5(4)3-14/h1,8,14H,2-3,12H2
InChIKeyONQYAYNWDPZOAZ-UHFFFAOYSA-N
MW314.07 g/mol
LogP1.57
Rot. Bonds3

About [2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol

[2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol (PubChem CID 118848266) has the molecular formula C8H9F2IN2O and a molecular weight of 314.07 g/mol. Its IUPAC name is [2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol
PubChem CID118848266
Molecular FormulaC8H9F2IN2O
Molecular Weight314.07 g/mol
Exact Mass313.97
IUPAC Name[2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol
SMILESNCc1nc(I)cc(C(F)F)c1CO
InChIInChI=1S/C8H9F2IN2O/c9-8(10)4-1-7(11)13-6(2-12)5(4)3-14/h1,8,14H,2-3,12H2
InChIKeyONQYAYNWDPZOAZ-UHFFFAOYSA-N
XLogP1.57
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.07
LogP ≤ 51.57
H-Bond Donors ≤ 52
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-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol
CID 118808608
[4-(difluoromethyl)-6-iodo-2-methyl-3-pyridinyl]methanamine
CID 130085965
[6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130086878
[4-(difluoromethyl)-6-iodo-2-nitro-3-pyridinyl]methanol
CID 118852204
[4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118829537
3-(bromomethyl)-4-(difluoromethyl)-2-fluoro-6-iodopyridine
CID 130080016
methyl 2-(aminomethyl)-5-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100237
[4-amino-2-(difluoromethyl)-6-iodo-3-pyridinyl]methanol
CID 118850928
[3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol
CID 130080196
[6-(aminomethyl)-4-(difluoromethyl)-5-methyl-2-pyridinyl]methanol
CID 130088446
[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol
CID 130081622
[6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118820073

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol?
The IUPAC name of [2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol (CID 118848266) is [2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol.
What is the SMILES notation for [2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol?
The canonical SMILES for [2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol is NCc1nc(I)cc(C(F)F)c1CO.
What is the InChIKey of [2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol?
The InChIKey is ONQYAYNWDPZOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2IN2O/c9-8(10)4-1-7(11)13-6(2-12)5(4)3-14/h1,8,14H,2-3,12H2.
What are the key properties of [2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol?
[2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol has a molecular weight of 314.07 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol is sourced from PubChem (CID 118848266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).