2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid

C11H14FNO2 — CID 104571788

IUPAC2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)c1ncccc1F
InChIInChI=1S/C11H14FNO2/c1-7(2)6-8(11(14)15)10-9(12)4-3-5-13-10/h3-5,7-8H,6H2,1-2H3,(H,14,15)
InChIKeyCYLNBIRXYWTGOP-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.43
Rot. Bonds4

About 2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid

2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid (PubChem CID 104571788) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid
PubChem CID104571788
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)c1ncccc1F
InChIInChI=1S/C11H14FNO2/c1-7(2)6-8(11(14)15)10-9(12)4-3-5-13-10/h3-5,7-8H,6H2,1-2H3,(H,14,15)
InChIKeyCYLNBIRXYWTGOP-UHFFFAOYSA-N
XLogP2.43
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-2-pyridinyl)pentanoic acid
CID 104571993
(2S)-2-(3-methoxy-2-pyridinyl)-4-methylpentanoic acid
CID 98041226
2-(3-methoxy-2-pyridinyl)-4-methylpentanoic acid
CID 86811528
2-(3-fluoro-2-pyridinyl)propanoic acid
CID 91647505
4-methyl-2-(3-propoxy-2-pyridinyl)pentanoic acid
CID 104571782
methyl 2-(3-fluoro-2-pyridinyl)-3-hydroxypropanoate
CID 156875680
2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid
CID 104573247
4-amino-3-(3-fluoro-2-pyridinyl)butanoic acid
CID 84668127
acetic acid;3-fluoro-2-methylpyridine
CID 175599570
3-fluoro-2-(1,2,2,2-tetrafluoroethyl)pyridine
CID 23236381
(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 53487490
methyl 2-[(3-fluoro-2-pyridinyl)-hydroxymethyl]benzoate
CID 176652584

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid (CID 104571788) is 2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid is CC(C)CC(C(=O)O)c1ncccc1F.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid?
The InChIKey is CYLNBIRXYWTGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7(2)6-8(11(14)15)10-9(12)4-3-5-13-10/h3-5,7-8H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid?
2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid has a molecular weight of 211.24 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-pyridinyl)-4-methylpentanoic acid is sourced from PubChem (CID 104571788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).