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

C9H9F2IN2O2 — CID 133101376

IUPAC2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
SMILESNCc1cc(CC(=O)O)c(I)c(C(F)F)n1
InChIInChI=1S/C9H9F2IN2O2/c10-9(11)8-7(12)4(2-6(15)16)1-5(3-13)14-8/h1,9H,2-3,13H2,(H,15,16)
InChIKeyFMUFRDVABNIWTP-UHFFFAOYSA-N
MW342.08 g/mol
LogP1.71
Rot. Bonds4

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

2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid (PubChem CID 133101376) has the molecular formula C9H9F2IN2O2 and a molecular weight of 342.08 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
PubChem CID133101376
Molecular FormulaC9H9F2IN2O2
Molecular Weight342.08 g/mol
Exact Mass341.97
IUPAC Name2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
SMILESNCc1cc(CC(=O)O)c(I)c(C(F)F)n1
InChIInChI=1S/C9H9F2IN2O2/c10-9(11)8-7(12)4(2-6(15)16)1-5(3-13)14-8/h1,9H,2-3,13H2,(H,15,16)
InChIKeyFMUFRDVABNIWTP-UHFFFAOYSA-N
XLogP1.71
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.08
LogP ≤ 51.71
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

2-[6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 133085230
2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 133107162
2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118807335
2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid
CID 130077721
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 133100722
2-[6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetic acid
CID 130082055
[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]methanamine
CID 130085511
2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid
CID 130100706
ethyl 2-[2-(difluoromethyl)-3,6-diiodo-4-pyridinyl]acetate
CID 134661762
2-[6-(aminomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 118853815
2-[5-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 133101306
2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106969

Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid (CID 133101376) is 2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid is NCc1cc(CC(=O)O)c(I)c(C(F)F)n1.
What is the InChIKey of 2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid?
The InChIKey is FMUFRDVABNIWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2IN2O2/c10-9(11)8-7(12)4(2-6(15)16)1-5(3-13)14-8/h1,9H,2-3,13H2,(H,15,16).
What are the key properties of 2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid?
2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid has a molecular weight of 342.08 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid is sourced from PubChem (CID 133101376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).