(2R)-2-hydroxy-2-phenylacetic acid;pyridine-3-carboxamide

C14H14N2O4 — CID 139146134

IUPAC(2R)-2-hydroxy-2-phenylacetic acid;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.O=C(O)[C@H](O)c1ccccc1
InChIInChI=1S/C8H8O3.C6H6N2O/c9-7(8(10)11)6-4-2-1-3-5-6;7-6(9)5-2-1-3-8-4-5/h1-5,7,9H,(H,10,11);1-4H,(H2,7,9)/t7-;/m1./s1
InChIKeyOBEVXNAFGQGHJG-OGFXRTJISA-N
MW274.28 g/mol
LogP0.99
Rot. Bonds3

About (2R)-2-hydroxy-2-phenylacetic acid;pyridine-3-carboxamide

(2R)-2-hydroxy-2-phenylacetic acid;pyridine-3-carboxamide (PubChem CID 139146134) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-phenylacetic acid;pyridine-3-carboxamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-phenylacetic acid;pyridine-3-carboxamide
PubChem CID139146134
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name(2R)-2-hydroxy-2-phenylacetic acid;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.O=C(O)[C@H](O)c1ccccc1
InChIInChI=1S/C8H8O3.C6H6N2O/c9-7(8(10)11)6-4-2-1-3-5-6;7-6(9)5-2-1-3-8-4-5/h1-5,7,9H,(H,10,11);1-4H,(H2,7,9)/t7-;/m1./s1
InChIKeyOBEVXNAFGQGHJG-OGFXRTJISA-N
XLogP0.99
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Niacinamide ascorbate
CID 54710212
2-(Pyridin-3-yl)benzoic acid
CID 2760505
3-(Pyridin-3-yl)benzoic acid
CID 2795575
5-Phenylpyridine-3-carboxylic acid
CID 346160
4-Pyridin-3-yl-benzoic acid
CID 1515244
2-[(Pyridin-3-ylmethyl)amino]benzoic acid
CID 3442459
N-Pyridin-3-ylmethyl-phthalamic acid
CID 654317
2-(Pyridin-4-ylmethylamino)benzoic acid
CID 3239010
Anthranilic acid, N-nicotinoyl-
CID 201533
2-Phenylnicotinic acid
CID 97489
4-Phenylnicotinic acid
CID 2762933
N-(4-Carboxyphenyl)nicotinamide 1-oxide
CID 44169

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-phenylacetic acid;pyridine-3-carboxamide?
The IUPAC name of (2R)-2-hydroxy-2-phenylacetic acid;pyridine-3-carboxamide (CID 139146134) is (2R)-2-hydroxy-2-phenylacetic acid;pyridine-3-carboxamide.
What is the SMILES notation for (2R)-2-hydroxy-2-phenylacetic acid;pyridine-3-carboxamide?
The canonical SMILES for (2R)-2-hydroxy-2-phenylacetic acid;pyridine-3-carboxamide is NC(=O)c1cccnc1.O=C(O)[C@H](O)c1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-2-phenylacetic acid;pyridine-3-carboxamide?
The InChIKey is OBEVXNAFGQGHJG-OGFXRTJISA-N. The full InChI is InChI=1S/C8H8O3.C6H6N2O/c9-7(8(10)11)6-4-2-1-3-5-6;7-6(9)5-2-1-3-8-4-5/h1-5,7,9H,(H,10,11);1-4H,(H2,7,9)/t7-;/m1./s1.
What are the key properties of (2R)-2-hydroxy-2-phenylacetic acid;pyridine-3-carboxamide?
(2R)-2-hydroxy-2-phenylacetic acid;pyridine-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-phenylacetic acid;pyridine-3-carboxamide is sourced from PubChem (CID 139146134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).