2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol

C7H7F2IN2O — CID 118808608

IUPAC2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol
SMILESNCc1nc(I)cc(C(F)F)c1O
InChIInChI=1S/C7H7F2IN2O/c8-7(9)3-1-5(10)12-4(2-11)6(3)13/h1,7,13H,2,11H2
InChIKeyNGWVEWIAIVUOQM-UHFFFAOYSA-N
MW300.05 g/mol
LogP1.79
Rot. Bonds2

About 2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol

2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol (PubChem CID 118808608) has the molecular formula C7H7F2IN2O and a molecular weight of 300.05 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol
PubChem CID118808608
Molecular FormulaC7H7F2IN2O
Molecular Weight300.05 g/mol
Exact Mass299.96
IUPAC Name2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol
SMILESNCc1nc(I)cc(C(F)F)c1O
InChIInChI=1S/C7H7F2IN2O/c8-7(9)3-1-5(10)12-4(2-11)6(3)13/h1,7,13H,2,11H2
InChIKeyNGWVEWIAIVUOQM-UHFFFAOYSA-N
XLogP1.79
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.05
LogP ≤ 51.79
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-iodo-3-pyridinyl]methanol
CID 118848266
6-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol
CID 130082575
4-(difluoromethyl)-3-hydroxy-6-iodopyridine-2-sulfonamide
CID 118851946
4-(difluoromethyl)-6-iodo-2-methoxypyridin-3-ol
CID 118801396
[6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130086878
[4-(difluoromethyl)-6-iodo-2-methyl-3-pyridinyl]methanamine
CID 130085965
4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 118818065
2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine
CID 118855239
6-amino-4-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol
CID 130104825
4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide
CID 118806851
methyl 2-(aminomethyl)-5-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 133100237
6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridin-3-ol
CID 118848322

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol?
The IUPAC name of 2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol (CID 118808608) is 2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol?
The canonical SMILES for 2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol is NCc1nc(I)cc(C(F)F)c1O.
What is the InChIKey of 2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol?
The InChIKey is NGWVEWIAIVUOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2IN2O/c8-7(9)3-1-5(10)12-4(2-11)6(3)13/h1,7,13H,2,11H2.
What are the key properties of 2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol?
2-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-ol has a molecular weight of 300.05 g/mol, XLogP of 1.79, 2 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-iodopyridin-3-ol is sourced from PubChem (CID 118808608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).