[6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol

C8H9F2IN2O — CID 130086878

IUPAC[6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
SMILESNCc1nc(CO)cc(C(F)F)c1I
InChIInChI=1S/C8H9F2IN2O/c9-8(10)5-1-4(3-14)13-6(2-12)7(5)11/h1,8,14H,2-3,12H2
InChIKeyHEQMOFNPIHKZQB-UHFFFAOYSA-N
MW314.07 g/mol
LogP1.57
Rot. Bonds3

About [6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol

[6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol (PubChem CID 130086878) has the molecular formula C8H9F2IN2O and a molecular weight of 314.07 g/mol. Its IUPAC name is [6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
PubChem CID130086878
Molecular FormulaC8H9F2IN2O
Molecular Weight314.07 g/mol
Exact Mass313.97
IUPAC Name[6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
SMILESNCc1nc(CO)cc(C(F)F)c1I
InChIInChI=1S/C8H9F2IN2O/c9-8(10)5-1-4(3-14)13-6(2-12)7(5)11/h1,8,14H,2-3,12H2
InChIKeyHEQMOFNPIHKZQB-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': 'iodine', 'substructure': 'N/A'}

Analyze [6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(aminomethyl)-4-(difluoromethyl)-5-methyl-2-pyridinyl]methanol
CID 130088446
[6-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130073268
[4-(difluoromethyl)-5-iodo-6-methyl-2-pyridinyl]methanol
CID 118800735
[2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol
CID 118848266
[6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol
CID 130068357
[6-(aminomethyl)-3-chloro-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130074984
2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol
CID 118808608
4-(difluoromethyl)-6-(hydroxymethyl)-2-methylpyridin-3-ol
CID 118834562
[3-(difluoromethyl)-5-fluoro-6-iodo-2-pyridinyl]methanol
CID 130080196
[5,6-dibromo-4-(difluoromethyl)-2-pyridinyl]methanol
CID 118803957
[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 [6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol?
The IUPAC name of [6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol (CID 130086878) is [6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol.
What is the SMILES notation for [6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol?
The canonical SMILES for [6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol is NCc1nc(CO)cc(C(F)F)c1I.
What is the InChIKey of [6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol?
The InChIKey is HEQMOFNPIHKZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2IN2O/c9-8(10)5-1-4(3-14)13-6(2-12)7(5)11/h1,8,14H,2-3,12H2.
What are the key properties of [6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol?
[6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-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 [6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol is sourced from PubChem (CID 130086878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).