2-(4-methyl-2-pyridinyl)propanoic acid tetrafluoroborate

C9H11BF4NO2- — CID 175113550

IUPAC2-(4-methyl-2-pyridinyl)propanoic acid tetrafluoroborate
SMILESCc1ccnc(C(C)C(=O)O)c1.F[B-](F)(F)F
InChIInChI=1S/C9H11NO2.BF4/c1-6-3-4-10-8(5-6)7(2)9(11)12;2-1(3,4)5/h3-5,7H,1-2H3,(H,11,12);/q;-1
InChIKeyGFRVZURLQCCRKJ-UHFFFAOYSA-N
MW252.00 g/mol
LogP2.88
Rot. Bonds2

About 2-(4-methyl-2-pyridinyl)propanoic acid tetrafluoroborate

2-(4-methyl-2-pyridinyl)propanoic acid tetrafluoroborate (PubChem CID 175113550) has the molecular formula C9H11BF4NO2- and a molecular weight of 252.00 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridinyl)propanoic acid tetrafluoroborate.

Molecular Properties

Compound Name2-(4-methyl-2-pyridinyl)propanoic acid tetrafluoroborate
PubChem CID175113550
Molecular FormulaC9H11BF4NO2-
Molecular Weight252.00 g/mol
Exact Mass252.08
IUPAC Name2-(4-methyl-2-pyridinyl)propanoic acid tetrafluoroborate
SMILESCc1ccnc(C(C)C(=O)O)c1.F[B-](F)(F)F
InChIInChI=1S/C9H11NO2.BF4/c1-6-3-4-10-8(5-6)7(2)9(11)12;2-1(3,4)5/h3-5,7H,1-2H3,(H,11,12);/q;-1
InChIKeyGFRVZURLQCCRKJ-UHFFFAOYSA-N
XLogP2.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.00
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(4-methyl-2-pyridinyl)acetic acid
CID 55293255
2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid
CID 170823470
(1S)-1-(4-methyl-2-pyridinyl)ethanol
CID 64712746
2-(4-ethoxy-2-pyridinyl)propanoic acid
CID 83879247
4-methyl-3-(4-methyl-2-pyridinyl)pentan-2-ol
CID 63200160
2-(6-methylpyrimidin-4-yl)propanoic acid
CID 82597052
2-(3,3-dimethylbutan-2-yl)-4-methylpyridine
CID 170214130
2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid
CID 83857547
ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate
CID 90379419
2-(6-methylcinnolin-3-yl)propanoic acid
CID 83887030
2-(4-methyl-2-pyridinyl)propan-1-amine
CID 82594772
3-(4-methyl-2-pyridinyl)-5,5-diphenylpentan-2-one
CID 172556894

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridinyl)propanoic acid tetrafluoroborate?
The IUPAC name of 2-(4-methyl-2-pyridinyl)propanoic acid tetrafluoroborate (CID 175113550) is 2-(4-methyl-2-pyridinyl)propanoic acid tetrafluoroborate.
What is the SMILES notation for 2-(4-methyl-2-pyridinyl)propanoic acid tetrafluoroborate?
The canonical SMILES for 2-(4-methyl-2-pyridinyl)propanoic acid tetrafluoroborate is Cc1ccnc(C(C)C(=O)O)c1.F[B-](F)(F)F.
What is the InChIKey of 2-(4-methyl-2-pyridinyl)propanoic acid tetrafluoroborate?
The InChIKey is GFRVZURLQCCRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.BF4/c1-6-3-4-10-8(5-6)7(2)9(11)12;2-1(3,4)5/h3-5,7H,1-2H3,(H,11,12);/q;-1.
What are the key properties of 2-(4-methyl-2-pyridinyl)propanoic acid tetrafluoroborate?
2-(4-methyl-2-pyridinyl)propanoic acid tetrafluoroborate has a molecular weight of 252.00 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridinyl)propanoic acid tetrafluoroborate is sourced from PubChem (CID 175113550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).