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

C7H7F2IN2O — CID 118850928

IUPAC[4-amino-2-(difluoromethyl)-6-iodo-3-pyridinyl]methanol
SMILESNc1cc(I)nc(C(F)F)c1CO
InChIInChI=1S/C7H7F2IN2O/c8-7(9)6-3(2-13)4(11)1-5(10)12-6/h1,7,13H,2H2,(H2,11,12)
InChIKeyBNDLIXAWDZHLAA-UHFFFAOYSA-N
MW300.05 g/mol
LogP1.70
Rot. Bonds2

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

[4-amino-2-(difluoromethyl)-6-iodo-3-pyridinyl]methanol (PubChem CID 118850928) has the molecular formula C7H7F2IN2O and a molecular weight of 300.05 g/mol. Its IUPAC name is [4-amino-2-(difluoromethyl)-6-iodo-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-amino-2-(difluoromethyl)-6-iodo-3-pyridinyl]methanol
PubChem CID118850928
Molecular FormulaC7H7F2IN2O
Molecular Weight300.05 g/mol
Exact Mass299.96
IUPAC Name[4-amino-2-(difluoromethyl)-6-iodo-3-pyridinyl]methanol
SMILESNc1cc(I)nc(C(F)F)c1CO
InChIInChI=1S/C7H7F2IN2O/c8-7(9)6-3(2-13)4(11)1-5(10)12-6/h1,7,13H,2H2,(H2,11,12)
InChIKeyBNDLIXAWDZHLAA-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
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 [4-amino-2-(difluoromethyl)-6-iodo-3-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

3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridin-4-amine
CID 130105324
[6-amino-2-(difluoromethyl)-4-iodo-3-pyridinyl]methanol
CID 130105451
[2-amino-6-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118993177
[6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol
CID 130107153
[2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol
CID 118848266
3-amino-2-(difluoromethyl)-6-iodopyridine-4-carboxylic acid
CID 130105526
[4,5-diamino-2-(difluoromethyl)-3-pyridinyl]methanol
CID 118818389
3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine
CID 130087013
[5-amino-6-chloro-2-(difluoromethyl)-3-pyridinyl]methanol
CID 130102831
[5-chloro-6-(difluoromethyl)-2-iodo-3-pyridinyl]methanol
CID 130073280
[2-amino-4-chloro-6-(difluoromethyl)-3-pyridinyl]methanol
CID 119002852
[4-(difluoromethyl)-6-iodo-2-nitro-3-pyridinyl]methanol
CID 118852204

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(difluoromethyl)-6-iodo-3-pyridinyl]methanol?
The IUPAC name of [4-amino-2-(difluoromethyl)-6-iodo-3-pyridinyl]methanol (CID 118850928) is [4-amino-2-(difluoromethyl)-6-iodo-3-pyridinyl]methanol.
What is the SMILES notation for [4-amino-2-(difluoromethyl)-6-iodo-3-pyridinyl]methanol?
The canonical SMILES for [4-amino-2-(difluoromethyl)-6-iodo-3-pyridinyl]methanol is Nc1cc(I)nc(C(F)F)c1CO.
What is the InChIKey of [4-amino-2-(difluoromethyl)-6-iodo-3-pyridinyl]methanol?
The InChIKey is BNDLIXAWDZHLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2IN2O/c8-7(9)6-3(2-13)4(11)1-5(10)12-6/h1,7,13H,2H2,(H2,11,12).
What are the key properties of [4-amino-2-(difluoromethyl)-6-iodo-3-pyridinyl]methanol?
[4-amino-2-(difluoromethyl)-6-iodo-3-pyridinyl]methanol has a molecular weight of 300.05 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(difluoromethyl)-6-iodo-3-pyridinyl]methanol is sourced from PubChem (CID 118850928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).