methyl 4-(6-fluoro-2-methyl-3-pyridinyl)but-3-ynoate

C11H10FNO2 — CID 170469155

IUPACmethyl 4-(6-fluoro-2-methyl-3-pyridinyl)but-3-ynoate
SMILESCOC(=O)CC#Cc1ccc(F)nc1C
InChIInChI=1S/C11H10FNO2/c1-8-9(6-7-10(12)13-8)4-3-5-11(14)15-2/h6-7H,5H2,1-2H3
InChIKeyHOPFUFJPBCUUMP-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.44
Rot. Bonds1

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

methyl 4-(6-fluoro-2-methyl-3-pyridinyl)but-3-ynoate (PubChem CID 170469155) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is methyl 4-(6-fluoro-2-methyl-3-pyridinyl)but-3-ynoate.

Molecular Properties

Compound Namemethyl 4-(6-fluoro-2-methyl-3-pyridinyl)but-3-ynoate
PubChem CID170469155
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Namemethyl 4-(6-fluoro-2-methyl-3-pyridinyl)but-3-ynoate
SMILESCOC(=O)CC#Cc1ccc(F)nc1C
InChIInChI=1S/C11H10FNO2/c1-8-9(6-7-10(12)13-8)4-3-5-11(14)15-2/h6-7H,5H2,1-2H3
InChIKeyHOPFUFJPBCUUMP-UHFFFAOYSA-N
XLogP1.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(6-methoxy-2-methyl-3-pyridinyl)but-3-ynoate
CID 170469567
methyl 4-(4-fluoro-2-methylphenyl)but-3-ynoate
CID 170468980
methyl 4-fluoro-3-(4-methoxy-4-oxobut-1-ynyl)benzoate
CID 170469999
methyl 4-(2,4-dihydroxyphenyl)but-3-ynoate
CID 170469040
methyl 4-(2-cyano-4-methylphenyl)but-3-ynoate
CID 170469513
methyl 4-[2-cyano-5-(trifluoromethyl)phenyl]but-3-ynoate
CID 170470359
methyl 4-[4-(cyanomethyl)-2-fluorophenyl]but-3-ynoate
CID 170469862
methyl 4-(2,6-dichloro-4-pyridinyl)but-3-ynoate
CID 170470553
methyl 4-(2-fluoro-3-formylphenyl)but-3-ynoate
CID 170469361
methyl 4-[2-(hydrazinecarbonyl)-4-methoxyphenyl]but-3-ynoate
CID 170470349
methyl 4-(3-fluoro-2-formylphenyl)but-3-ynoate
CID 170469371
methyl 4-(4-methylpyrimidin-2-yl)but-3-ynoate
CID 170468907

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-fluoro-2-methyl-3-pyridinyl)but-3-ynoate?
The IUPAC name of methyl 4-(6-fluoro-2-methyl-3-pyridinyl)but-3-ynoate (CID 170469155) is methyl 4-(6-fluoro-2-methyl-3-pyridinyl)but-3-ynoate.
What is the SMILES notation for methyl 4-(6-fluoro-2-methyl-3-pyridinyl)but-3-ynoate?
The canonical SMILES for methyl 4-(6-fluoro-2-methyl-3-pyridinyl)but-3-ynoate is COC(=O)CC#Cc1ccc(F)nc1C.
What is the InChIKey of methyl 4-(6-fluoro-2-methyl-3-pyridinyl)but-3-ynoate?
The InChIKey is HOPFUFJPBCUUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-8-9(6-7-10(12)13-8)4-3-5-11(14)15-2/h6-7H,5H2,1-2H3.
What are the key properties of methyl 4-(6-fluoro-2-methyl-3-pyridinyl)but-3-ynoate?
methyl 4-(6-fluoro-2-methyl-3-pyridinyl)but-3-ynoate has a molecular weight of 207.20 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-fluoro-2-methyl-3-pyridinyl)but-3-ynoate is sourced from PubChem (CID 170469155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).