2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid

C9H8F3IN2O3 — CID 134679833

IUPAC2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESNCc1cc(OC(F)(F)F)nc(CC(=O)O)c1I
InChIInChI=1S/C9H8F3IN2O3/c10-9(11,12)18-6-1-4(3-14)8(13)5(15-6)2-7(16)17/h1H,2-3,14H2,(H,16,17)
InChIKeyHSVJBLOILQVABK-UHFFFAOYSA-N
MW376.07 g/mol
LogP1.67
Rot. Bonds4

About 2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid

2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid (PubChem CID 134679833) has the molecular formula C9H8F3IN2O3 and a molecular weight of 376.07 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
PubChem CID134679833
Molecular FormulaC9H8F3IN2O3
Molecular Weight376.07 g/mol
Exact Mass375.95
IUPAC Name2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESNCc1cc(OC(F)(F)F)nc(CC(=O)O)c1I
InChIInChI=1S/C9H8F3IN2O3/c10-9(11,12)18-6-1-4(3-14)8(13)5(15-6)2-7(16)17/h1H,2-3,14H2,(H,16,17)
InChIKeyHSVJBLOILQVABK-UHFFFAOYSA-N
XLogP1.67
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.07
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[4-(aminomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134672739
2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 133085515
4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine
CID 119006806
ethyl 4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134676389
2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 119009677
2-[2-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134660439
2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134675739
[4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118807357
2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 119025293
2-[2-iodo-3-nitro-6-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134676198
ethyl 2-[3-iodo-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134659970
2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680320

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid (CID 134679833) is 2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid is NCc1cc(OC(F)(F)F)nc(CC(=O)O)c1I.
What is the InChIKey of 2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The InChIKey is HSVJBLOILQVABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3IN2O3/c10-9(11,12)18-6-1-4(3-14)8(13)5(15-6)2-7(16)17/h1H,2-3,14H2,(H,16,17).
What are the key properties of 2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid?
2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid has a molecular weight of 376.07 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid is sourced from PubChem (CID 134679833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).