[2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol

C8H9F2IN2O — CID 118820101

IUPAC[2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
SMILESNCc1ncc(I)c(C(F)F)c1CO
InChIInChI=1S/C8H9F2IN2O/c9-8(10)7-4(3-14)6(1-12)13-2-5(7)11/h2,8,14H,1,3,12H2
InChIKeyLEJBZBXVJAVNSW-UHFFFAOYSA-N
MW314.07 g/mol
LogP1.57
Rot. Bonds3

About [2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol

[2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol (PubChem CID 118820101) has the molecular formula C8H9F2IN2O and a molecular weight of 314.07 g/mol. Its IUPAC name is [2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
PubChem CID118820101
Molecular FormulaC8H9F2IN2O
Molecular Weight314.07 g/mol
Exact Mass313.97
IUPAC Name[2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
SMILESNCc1ncc(I)c(C(F)F)c1CO
InChIInChI=1S/C8H9F2IN2O/c9-8(10)7-4(3-14)6(1-12)13-2-5(7)11/h2,8,14H,1,3,12H2
InChIKeyLEJBZBXVJAVNSW-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

[4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 118824248
[2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118837003
[3-chloro-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanamine
CID 118808483
[5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
CID 130107021
[3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 130087709
3-(aminomethyl)-4-(difluoromethyl)-5-iodopyridine-2-carbaldehyde
CID 130086932
4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077521
[2-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118825588
[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118836836
[5-(difluoromethyl)-3,4-diiodo-2-pyridinyl]methanamine
CID 118848069
[4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134672695
[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol
CID 130085739

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol?
The IUPAC name of [2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol (CID 118820101) is [2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol.
What is the SMILES notation for [2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol?
The canonical SMILES for [2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol is NCc1ncc(I)c(C(F)F)c1CO.
What is the InChIKey of [2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol?
The InChIKey is LEJBZBXVJAVNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2IN2O/c9-8(10)7-4(3-14)6(1-12)13-2-5(7)11/h2,8,14H,1,3,12H2.
What are the key properties of [2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol?
[2-(aminomethyl)-4-(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 [2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol is sourced from PubChem (CID 118820101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).