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

C7H7F2IN2O — CID 130082590

IUPAC5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol
SMILESNCc1cnc(I)c(O)c1C(F)F
InChIInChI=1S/C7H7F2IN2O/c8-6(9)4-3(1-11)2-12-7(10)5(4)13/h2,6,13H,1,11H2
InChIKeyUUZMWVGYRKUTQN-UHFFFAOYSA-N
MW300.05 g/mol
LogP1.79
Rot. Bonds2

About 5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol

5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol (PubChem CID 130082590) has the molecular formula C7H7F2IN2O and a molecular weight of 300.05 g/mol. Its IUPAC name is 5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol.

Molecular Properties

Compound Name5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol
PubChem CID130082590
Molecular FormulaC7H7F2IN2O
Molecular Weight300.05 g/mol
Exact Mass299.96
IUPAC Name5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol
SMILESNCc1cnc(I)c(O)c1C(F)F
InChIInChI=1S/C7H7F2IN2O/c8-6(9)4-3(1-11)2-12-7(10)5(4)13/h2,6,13H,1,11H2
InChIKeyUUZMWVGYRKUTQN-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'}

Analyze 5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol 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

ethyl 5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridine-3-carboxylate
CID 133100784
2-[5-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 133101298
[5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine
CID 118817949
5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine
CID 130105277
[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]methanamine
CID 130085961
[5-(difluoromethyl)-6-iodo-4-methyl-3-pyridinyl]methanol
CID 130086167
ethyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133100614
[5-(difluoromethyl)-2,4-diiodo-3-pyridinyl]methanamine
CID 130100567
4-(difluoromethyl)-5,6-diiodopyridin-3-amine
CID 130100391
2-[5-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 133101306
2-[4-bromo-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 130068481
3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine
CID 130073184

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol?
The IUPAC name of 5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol (CID 130082590) is 5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol.
What is the SMILES notation for 5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol?
The canonical SMILES for 5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol is NCc1cnc(I)c(O)c1C(F)F.
What is the InChIKey of 5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol?
The InChIKey is UUZMWVGYRKUTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2IN2O/c8-6(9)4-3(1-11)2-12-7(10)5(4)13/h2,6,13H,1,11H2.
What are the key properties of 5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol?
5-(aminomethyl)-4-(difluoromethyl)-2-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 5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridin-3-ol is sourced from PubChem (CID 130082590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).