methyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate

C9H10FNO2 — CID 94425120

IUPACmethyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate
SMILESCOC(=O)[C@@H](C)c1cncc(F)c1
InChIInChI=1S/C9H10FNO2/c1-6(9(12)13-2)7-3-8(10)5-11-4-7/h3-6H,1-2H3/t6-/m0/s1
InChIKeyMBCKTRRPLCQQRC-LURJTMIESA-N
MW183.18 g/mol
LogP1.50
Rot. Bonds2

About methyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate

methyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate (PubChem CID 94425120) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is methyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate
PubChem CID94425120
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Namemethyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate
SMILESCOC(=O)[C@@H](C)c1cncc(F)c1
InChIInChI=1S/C9H10FNO2/c1-6(9(12)13-2)7-3-8(10)5-11-4-7/h3-6H,1-2H3/t6-/m0/s1
InChIKeyMBCKTRRPLCQQRC-LURJTMIESA-N
XLogP1.50
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate
CID 131354218
methyl 2-(4-tert-butylanilino)-2-(5-fluoro-3-pyridinyl)acetate
CID 166078225
methyl 2-(6-fluoronaphthalen-2-yl)propanoate
CID 70591707
2-ethyl-1-(5-fluoro-3-pyridinyl)-2-methoxybutan-1-amine
CID 116760662
1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one
CID 116708326
(5-fluoro-3-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
CID 105121302
1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine
CID 63717242
1-(5-fluoro-3-pyridinyl)-2-methoxy-2-methylbutan-1-amine
CID 116757462
[1-(5-fluoro-3-pyridinyl)-3-methoxypropyl]hydrazine
CID 105206466
methyl 2-(3,5-difluorophenyl)-2-fluoroacetate
CID 22312713
3-(5-fluoro-3-pyridinyl)-N-propan-2-ylbutan-1-amine
CID 81020324
1-(5-fluoro-3-pyridinyl)-1-(5-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105175369

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate?
The IUPAC name of methyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate (CID 94425120) is methyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate.
What is the SMILES notation for methyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate?
The canonical SMILES for methyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate is COC(=O)[C@@H](C)c1cncc(F)c1.
What is the InChIKey of methyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate?
The InChIKey is MBCKTRRPLCQQRC-LURJTMIESA-N. The full InChI is InChI=1S/C9H10FNO2/c1-6(9(12)13-2)7-3-8(10)5-11-4-7/h3-6H,1-2H3/t6-/m0/s1.
What are the key properties of methyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate?
methyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate has a molecular weight of 183.18 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate is sourced from PubChem (CID 94425120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).