methyl 4-(3-amino-6-fluoro-2-pyridinyl)but-3-enoate

C10H11FN2O2 — CID 170500518

IUPACmethyl 4-(3-amino-6-fluoro-2-pyridinyl)but-3-enoate
SMILESCOC(=O)CC=Cc1nc(F)ccc1N
InChIInChI=1S/C10H11FN2O2/c1-15-10(14)4-2-3-8-7(12)5-6-9(11)13-8/h2-3,5-6H,4,12H2,1H3
InChIKeyPUUKPHBLVRVMBR-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.38
Rot. Bonds3

About methyl 4-(3-amino-6-fluoro-2-pyridinyl)but-3-enoate

methyl 4-(3-amino-6-fluoro-2-pyridinyl)but-3-enoate (PubChem CID 170500518) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is methyl 4-(3-amino-6-fluoro-2-pyridinyl)but-3-enoate.

Molecular Properties

Compound Namemethyl 4-(3-amino-6-fluoro-2-pyridinyl)but-3-enoate
PubChem CID170500518
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Namemethyl 4-(3-amino-6-fluoro-2-pyridinyl)but-3-enoate
SMILESCOC(=O)CC=Cc1nc(F)ccc1N
InChIInChI=1S/C10H11FN2O2/c1-15-10(14)4-2-3-8-7(12)5-6-9(11)13-8/h2-3,5-6H,4,12H2,1H3
InChIKeyPUUKPHBLVRVMBR-UHFFFAOYSA-N
XLogP1.38
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-(3-amino-6-fluoro-2-pyridinyl)but-3-enoate 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 4-(3-amino-2-pyridinyl)but-3-enoate
CID 170500334
tert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate
CID 169467128
ethyl 4-(3-amino-6-methyl-2-pyridinyl)but-3-enoate
CID 170795786
(E)-3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enoic acid
CID 139392133
2-(4-aminobut-1-enyl)-6-fluoropyridin-3-amine
CID 170486598
methyl 4-(4-amino-3-hydroxyphenyl)but-3-enoate
CID 170500638
methyl 4-(2-amino-5-cyanophenyl)but-3-enoate
CID 170500841
methyl 4-(3-methyl-2-pyridinyl)but-3-enoate
CID 170500371
methyl 4-(2-amino-3-methylphenyl)but-3-enoate
CID 170500603
ethyl 4-(2,6-difluoro-3-pyridinyl)but-3-enoate
CID 170795868
methyl 4-(5-amino-6-methyl-3-pyridinyl)but-3-enoate
CID 170500531
methyl 4-(3-chloro-2-pyridinyl)but-3-enoate
CID 170500349

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-amino-6-fluoro-2-pyridinyl)but-3-enoate?
The IUPAC name of methyl 4-(3-amino-6-fluoro-2-pyridinyl)but-3-enoate (CID 170500518) is methyl 4-(3-amino-6-fluoro-2-pyridinyl)but-3-enoate.
What is the SMILES notation for methyl 4-(3-amino-6-fluoro-2-pyridinyl)but-3-enoate?
The canonical SMILES for methyl 4-(3-amino-6-fluoro-2-pyridinyl)but-3-enoate is COC(=O)CC=Cc1nc(F)ccc1N.
What is the InChIKey of methyl 4-(3-amino-6-fluoro-2-pyridinyl)but-3-enoate?
The InChIKey is PUUKPHBLVRVMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c1-15-10(14)4-2-3-8-7(12)5-6-9(11)13-8/h2-3,5-6H,4,12H2,1H3.
What are the key properties of methyl 4-(3-amino-6-fluoro-2-pyridinyl)but-3-enoate?
methyl 4-(3-amino-6-fluoro-2-pyridinyl)but-3-enoate has a molecular weight of 210.21 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-amino-6-fluoro-2-pyridinyl)but-3-enoate is sourced from PubChem (CID 170500518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).