2-[hydroxy-(2-methyl-3-pyridinyl)methyl]prop-2-enoic acid

C10H11NO3 — CID 118072042

IUPAC2-[hydroxy-(2-methyl-3-pyridinyl)methyl]prop-2-enoic acid
SMILESC=C(C(=O)O)C(O)c1cccnc1C
InChIInChI=1S/C10H11NO3/c1-6(10(13)14)9(12)8-4-3-5-11-7(8)2/h3-5,9,12H,1H2,2H3,(H,13,14)
InChIKeyRSBWFFURGQKOMN-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.06
Rot. Bonds3

About 2-[hydroxy-(2-methyl-3-pyridinyl)methyl]prop-2-enoic acid

2-[hydroxy-(2-methyl-3-pyridinyl)methyl]prop-2-enoic acid (PubChem CID 118072042) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-[hydroxy-(2-methyl-3-pyridinyl)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[hydroxy-(2-methyl-3-pyridinyl)methyl]prop-2-enoic acid
PubChem CID118072042
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-[hydroxy-(2-methyl-3-pyridinyl)methyl]prop-2-enoic acid
SMILESC=C(C(=O)O)C(O)c1cccnc1C
InChIInChI=1S/C10H11NO3/c1-6(10(13)14)9(12)8-4-3-5-11-7(8)2/h3-5,9,12H,1H2,2H3,(H,13,14)
InChIKeyRSBWFFURGQKOMN-UHFFFAOYSA-N
XLogP1.06
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-hydroxy-2-(2-methyl-3-pyridinyl)acetate
CID 57017613
2,3-dihydroxy-3-(2-methyl-3-pyridinyl)propanoic acid
CID 170823469
2-[(3-chloro-2-pyridinyl)-hydroxymethyl]prop-2-enoic acid
CID 175180352
ethyl (2R,3R)-2-amino-3-hydroxy-3-(2-methyl-3-pyridinyl)propanoate
CID 125458214
(1R)-2-amino-1-(2-methyl-3-pyridinyl)ethanol
CID 96635768
(2-methylphenyl)-(2-methyl-3-pyridinyl)methanol
CID 105078767
ethane;(1S)-1-(2-methyl-3-pyridinyl)propan-1-ol
CID 144739559
ethane;2-methyl-3-propan-2-ylpyridine
CID 142858508
3-methyl-1-(2-methyl-3-pyridinyl)butan-1-ol
CID 105076232
(1S)-1-(2-methyl-3-pyridinyl)ethanamine
CID 94864826
ethane;2-methyl-3-propan-2-ylpyridine;vanadium
CID 143650392
ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate
CID 142676522

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(2-methyl-3-pyridinyl)methyl]prop-2-enoic acid?
The IUPAC name of 2-[hydroxy-(2-methyl-3-pyridinyl)methyl]prop-2-enoic acid (CID 118072042) is 2-[hydroxy-(2-methyl-3-pyridinyl)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[hydroxy-(2-methyl-3-pyridinyl)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[hydroxy-(2-methyl-3-pyridinyl)methyl]prop-2-enoic acid is C=C(C(=O)O)C(O)c1cccnc1C.
What is the InChIKey of 2-[hydroxy-(2-methyl-3-pyridinyl)methyl]prop-2-enoic acid?
The InChIKey is RSBWFFURGQKOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6(10(13)14)9(12)8-4-3-5-11-7(8)2/h3-5,9,12H,1H2,2H3,(H,13,14).
What are the key properties of 2-[hydroxy-(2-methyl-3-pyridinyl)methyl]prop-2-enoic acid?
2-[hydroxy-(2-methyl-3-pyridinyl)methyl]prop-2-enoic acid has a molecular weight of 193.20 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(2-methyl-3-pyridinyl)methyl]prop-2-enoic acid is sourced from PubChem (CID 118072042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).