methyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate

C12H17FN2O2 — CID 62734562

IUPACmethyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate
SMILESCOC(=O)CCCCCNc1ncccc1F
InChIInChI=1S/C12H17FN2O2/c1-17-11(16)7-3-2-4-8-14-12-10(13)6-5-9-15-12/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyRPSABJVHJNOWIG-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.37
Rot. Bonds7

About methyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate

methyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate (PubChem CID 62734562) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is methyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate
PubChem CID62734562
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Namemethyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate
SMILESCOC(=O)CCCCCNc1ncccc1F
InChIInChI=1S/C12H17FN2O2/c1-17-11(16)7-3-2-4-8-14-12-10(13)6-5-9-15-12/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyRPSABJVHJNOWIG-UHFFFAOYSA-N
XLogP2.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine
CID 107323423
methyl 6-[(3-bromo-4-methyl-2-pyridinyl)amino]hexanoate
CID 106878486
3-[(3-fluoro-2-pyridinyl)amino]-N-methylpropanamide
CID 62732862
N,N-diethyl-3-[(3-fluoro-2-pyridinyl)amino]propanamide
CID 62734354
methyl 6-[(5-bromoisoquinolin-1-yl)amino]hexanoate
CID 106541889
methyl 4-[(3-fluoro-4-iodo-2-pyridinyl)amino]butanoate
CID 162684755
methyl 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]hexanoate
CID 31839789
methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate
CID 78951048
methyl 6-(2,3,4-trifluoroanilino)hexanoate
CID 82538898
methyl 6-(phthalazin-1-ylamino)hexanoate
CID 60631363
methyl 6-[(2-bromopyridine-3-carbonyl)amino]hexanoate
CID 113255495
methyl 4-(2-fluoroanilino)butanoate
CID 43377911

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate?
The IUPAC name of methyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate (CID 62734562) is methyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate is COC(=O)CCCCCNc1ncccc1F.
What is the InChIKey of methyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate?
The InChIKey is RPSABJVHJNOWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-17-11(16)7-3-2-4-8-14-12-10(13)6-5-9-15-12/h5-6,9H,2-4,7-8H2,1H3,(H,14,15).
What are the key properties of methyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate?
methyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate has a molecular weight of 240.28 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-fluoro-2-pyridinyl)amino]hexanoate is sourced from PubChem (CID 62734562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).