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

C10H11F2IN2O2 — CID 133101263

IUPACmethyl 2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(CN)c(I)nc1C(F)F
InChIInChI=1S/C10H11F2IN2O2/c1-17-7(16)3-5-2-6(4-14)10(13)15-8(5)9(11)12/h2,9H,3-4,14H2,1H3
InChIKeyRTMUBWSXLJKBNQ-UHFFFAOYSA-N
MW356.11 g/mol
LogP1.80
Rot. Bonds4

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

methyl 2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate (PubChem CID 133101263) has the molecular formula C10H11F2IN2O2 and a molecular weight of 356.11 g/mol. Its IUPAC name is methyl 2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
PubChem CID133101263
Molecular FormulaC10H11F2IN2O2
Molecular Weight356.11 g/mol
Exact Mass355.98
IUPAC Namemethyl 2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(CN)c(I)nc1C(F)F
InChIInChI=1S/C10H11F2IN2O2/c1-17-7(16)3-5-2-6(4-14)10(13)15-8(5)9(11)12/h2,9H,3-4,14H2,1H3
InChIKeyRTMUBWSXLJKBNQ-UHFFFAOYSA-N
XLogP1.80
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.11
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze methyl 2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-(difluoromethyl)-6-iodo-5-methoxy-3-pyridinyl]acetate
CID 133102034
methyl 2-[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]acetate
CID 133102111
methyl 5-(aminomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carboxylate
CID 133100242
methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 133104357
[6-(difluoromethyl)-2-iodo-5-methoxy-3-pyridinyl]methanamine
CID 130085543
methyl 2-[2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134668549
methyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134683935
methyl 2-[5-amino-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 133088395
methyl 2-[6-chloro-5-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134672190
methyl 2-[5-(difluoromethyl)-2-iodo-6-methyl-3-pyridinyl]acetate
CID 133101939
methyl 2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134674550
methyl 2-[2-amino-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134683410

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate (CID 133101263) is methyl 2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate is COC(=O)Cc1cc(CN)c(I)nc1C(F)F.
What is the InChIKey of methyl 2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate?
The InChIKey is RTMUBWSXLJKBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2IN2O2/c1-17-7(16)3-5-2-6(4-14)10(13)15-8(5)9(11)12/h2,9H,3-4,14H2,1H3.
What are the key properties of methyl 2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate?
methyl 2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate has a molecular weight of 356.11 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate is sourced from PubChem (CID 133101263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).