methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate

C8H9FN2O2 — CID 117275720

IUPACmethyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ncc(CN)cc1F
InChIInChI=1S/C8H9FN2O2/c1-13-8(12)7-6(9)2-5(3-10)4-11-7/h2,4H,3,10H2,1H3
InChIKeyWCFZPHLTHJMFEL-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.47
Rot. Bonds2

About methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate

methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate (PubChem CID 117275720) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate
PubChem CID117275720
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Namemethyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate
SMILESCOC(=O)c1ncc(CN)cc1F
InChIInChI=1S/C8H9FN2O2/c1-13-8(12)7-6(9)2-5(3-10)4-11-7/h2,4H,3,10H2,1H3
InChIKeyWCFZPHLTHJMFEL-UHFFFAOYSA-N
XLogP0.47
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-fluoro-5-[(2-hydroxy-2,3-dimethylbutanoyl)oxymethyl]pyridine-2-carboxylate
CID 167916298
methyl 5-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 130096508
(5-fluoro-6-methoxy-3-pyridinyl)methanamine
CID 58258904
methyl 3-(aminomethyl)-4-(difluoromethyl)-5-fluoropyridine-2-carboxylate
CID 133104277
methyl 3-fluoro-5-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636624
methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropyridine-2-carboxylate
CID 131748526
ethyl 5-amino-3-fluoropyridine-2-carboxylate
CID 119005075
methyl 6-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 133104484
methyl 3-chloro-5-fluoropyridine-2-carboxylate
CID 46311235
methyl 4-bromo-3,5-difluoropyridine-2-carboxylate
CID 141301095
methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate
CID 139512431
4-(aminomethyl)-2,6-difluoro-N-methylbenzamide
CID 130594863

Frequently Asked Questions

What is the IUPAC name of methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate?
The IUPAC name of methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate (CID 117275720) is methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate?
The canonical SMILES for methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate is COC(=O)c1ncc(CN)cc1F.
What is the InChIKey of methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate?
The InChIKey is WCFZPHLTHJMFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-13-8(12)7-6(9)2-5(3-10)4-11-7/h2,4H,3,10H2,1H3.
What are the key properties of methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate?
methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate has a molecular weight of 184.17 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate is sourced from PubChem (CID 117275720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).