6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid

C15H12N2O3 — CID 56928077

IUPAC6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid
SMILESC[C@@H](O)c1cccc2nc3c(C(=O)O)cccc3nc12
InChIInChI=1S/C15H12N2O3/c1-8(18)9-4-2-6-11-13(9)16-12-7-3-5-10(15(19)20)14(12)17-11/h2-8,18H,1H3,(H,19,20)/t8-/m1/s1
InChIKeyOWDPOEGUZYTAJW-MRVPVSSYSA-N
MW268.27 g/mol
LogP2.53
Rot. Bonds2

About 6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid

6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid (PubChem CID 56928077) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid.

Molecular Properties

Compound Name6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid
PubChem CID56928077
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid
SMILESC[C@@H](O)c1cccc2nc3c(C(=O)O)cccc3nc12
InChIInChI=1S/C15H12N2O3/c1-8(18)9-4-2-6-11-13(9)16-12-7-3-5-10(15(19)20)14(12)17-11/h2-8,18H,1H3,(H,19,20)/t8-/m1/s1
InChIKeyOWDPOEGUZYTAJW-MRVPVSSYSA-N
XLogP2.53
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

[(2S,3S,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl] 6-[(1S)-1-hydroxyethyl]phenazine-1-carboxylate
CID 162896028
2-[(1S)-1-hydroxyethyl]-1,3-benzoxazole-4-carboxylic acid
CID 81357922
2-propan-2-yl-1H-benzimidazole-4-carboxylic acid
CID 58932987
phenazin-1-ylmethanediol
CID 130468741
3-chloroquinoxaline-5-carboxylic acid
CID 115026152
2-methylbenzene-1,3-dicarboxylic acid;propan-2-ol
CID 175270418
2-(1-hydroxy-2-methylpropyl)benzoic acid
CID 83388039
6-[(E)-(2,3,4,5,6-pentafluorophenyl)methoxyiminomethyl]phenazine-1-carboxylic acid
CID 137331352
4-methoxycarbonylbenzo[a]phenazine-11-carboxylic acid
CID 11782518
phenazine-1-carboxamide
CID 141278918
phenazine-1-carbonyl chloride
CID 71668468
N-methylphenazine-1-carboxamide
CID 4257706

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid?
The IUPAC name of 6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid (CID 56928077) is 6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid.
What is the SMILES notation for 6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid?
The canonical SMILES for 6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid is C[C@@H](O)c1cccc2nc3c(C(=O)O)cccc3nc12.
What is the InChIKey of 6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid?
The InChIKey is OWDPOEGUZYTAJW-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-8(18)9-4-2-6-11-13(9)16-12-7-3-5-10(15(19)20)14(12)17-11/h2-8,18H,1H3,(H,19,20)/t8-/m1/s1.
What are the key properties of 6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid?
6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-hydroxyethyl]phenazine-1-carboxylic acid is sourced from PubChem (CID 56928077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).