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

C7H7F2IN2O — CID 130105451

IUPAC[6-amino-2-(difluoromethyl)-4-iodo-3-pyridinyl]methanol
SMILESNc1cc(I)c(CO)c(C(F)F)n1
InChIInChI=1S/C7H7F2IN2O/c8-7(9)6-3(2-13)4(10)1-5(11)12-6/h1,7,13H,2H2,(H2,11,12)
InChIKeyOOLYPLDAEPOBMW-UHFFFAOYSA-N
MW300.05 g/mol
LogP1.70
Rot. Bonds2

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

[6-amino-2-(difluoromethyl)-4-iodo-3-pyridinyl]methanol (PubChem CID 130105451) has the molecular formula C7H7F2IN2O and a molecular weight of 300.05 g/mol. Its IUPAC name is [6-amino-2-(difluoromethyl)-4-iodo-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-amino-2-(difluoromethyl)-4-iodo-3-pyridinyl]methanol
PubChem CID130105451
Molecular FormulaC7H7F2IN2O
Molecular Weight300.05 g/mol
Exact Mass299.96
IUPAC Name[6-amino-2-(difluoromethyl)-4-iodo-3-pyridinyl]methanol
SMILESNc1cc(I)c(CO)c(C(F)F)n1
InChIInChI=1S/C7H7F2IN2O/c8-7(9)6-3(2-13)4(10)1-5(11)12-6/h1,7,13H,2H2,(H2,11,12)
InChIKeyOOLYPLDAEPOBMW-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[6-amino-4-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]methanol
CID 130107153
[4-amino-2-(difluoromethyl)-6-iodo-3-pyridinyl]methanol
CID 118850928
[2-amino-6-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118993177
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid
CID 130086964
6-(difluoromethyl)-5-iodo-4-methylpyridin-2-amine
CID 130105196
[6-amino-3-(difluoromethyl)-2-methyl-4-pyridinyl]methanol
CID 130106484
[6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118820073
6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
CID 130105521
[6-(difluoromethyl)-3-fluoro-5-iodo-2-pyridinyl]methanol
CID 118854432
2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671561
5-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 130107066
6-amino-3-(aminomethyl)-2-(difluoromethyl)pyridine-4-carbaldehyde
CID 130107032

Frequently Asked Questions

What is the IUPAC name of [6-amino-2-(difluoromethyl)-4-iodo-3-pyridinyl]methanol?
The IUPAC name of [6-amino-2-(difluoromethyl)-4-iodo-3-pyridinyl]methanol (CID 130105451) is [6-amino-2-(difluoromethyl)-4-iodo-3-pyridinyl]methanol.
What is the SMILES notation for [6-amino-2-(difluoromethyl)-4-iodo-3-pyridinyl]methanol?
The canonical SMILES for [6-amino-2-(difluoromethyl)-4-iodo-3-pyridinyl]methanol is Nc1cc(I)c(CO)c(C(F)F)n1.
What is the InChIKey of [6-amino-2-(difluoromethyl)-4-iodo-3-pyridinyl]methanol?
The InChIKey is OOLYPLDAEPOBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2IN2O/c8-7(9)6-3(2-13)4(10)1-5(11)12-6/h1,7,13H,2H2,(H2,11,12).
What are the key properties of [6-amino-2-(difluoromethyl)-4-iodo-3-pyridinyl]methanol?
[6-amino-2-(difluoromethyl)-4-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 [6-amino-2-(difluoromethyl)-4-iodo-3-pyridinyl]methanol is sourced from PubChem (CID 130105451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).