[6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol

C8H9F2IN2O — CID 118820073

IUPAC[6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
SMILESNCc1nc(C(F)F)c(CO)cc1I
InChIInChI=1S/C8H9F2IN2O/c9-8(10)7-4(3-14)1-5(11)6(2-12)13-7/h1,8,14H,2-3,12H2
InChIKeyHCRHAIWWXLCCMV-UHFFFAOYSA-N
MW314.07 g/mol
LogP1.57
Rot. Bonds3

About [6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol

[6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol (PubChem CID 118820073) has the molecular formula C8H9F2IN2O and a molecular weight of 314.07 g/mol. Its IUPAC name is [6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
PubChem CID118820073
Molecular FormulaC8H9F2IN2O
Molecular Weight314.07 g/mol
Exact Mass313.97
IUPAC Name[6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
SMILESNCc1nc(C(F)F)c(CO)cc1I
InChIInChI=1S/C8H9F2IN2O/c9-8(10)7-4(3-14)1-5(11)6(2-12)13-7/h1,8,14H,2-3,12H2
InChIKeyHCRHAIWWXLCCMV-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'}

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Related Compounds

6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridin-3-ol
CID 118848322
[5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118814520
6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118814384
[2-amino-6-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118993177
[2-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]methanol
CID 118848642
[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine
CID 130100564
[6-(difluoromethyl)-3-fluoro-5-iodo-2-pyridinyl]methanol
CID 118854432
[2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol
CID 118814976
6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118808652
[2-chloro-6-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118990772
2-[6-(aminomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 118853815
[6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130086878

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol?
The IUPAC name of [6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol (CID 118820073) is [6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol.
What is the SMILES notation for [6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol?
The canonical SMILES for [6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol is NCc1nc(C(F)F)c(CO)cc1I.
What is the InChIKey of [6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol?
The InChIKey is HCRHAIWWXLCCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2IN2O/c9-8(10)7-4(3-14)1-5(11)6(2-12)13-7/h1,8,14H,2-3,12H2.
What are the key properties of [6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol?
[6-(aminomethyl)-2-(difluoromethyl)-5-iodo-3-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)-2-(difluoromethyl)-5-iodo-3-pyridinyl]methanol is sourced from PubChem (CID 118820073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).