6-chloro-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid

C13H10ClN3O3 — CID 135504515

IUPAC6-chloro-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1N/N=C/c1ccccc1O
InChIInChI=1S/C13H10ClN3O3/c14-11-6-5-9(13(19)20)12(16-11)17-15-7-8-3-1-2-4-10(8)18/h1-7,18H,(H,16,17)(H,19,20)/b15-7+
InChIKeyBWXZVGZIQMPZJG-VIZOYTHASA-N
MW291.69 g/mol
LogP2.58
Rot. Bonds4

About 6-chloro-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid

6-chloro-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid (PubChem CID 135504515) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 6-chloro-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid
PubChem CID135504515
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name6-chloro-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1N/N=C/c1ccccc1O
InChIInChI=1S/C13H10ClN3O3/c14-11-6-5-9(13(19)20)12(16-11)17-15-7-8-3-1-2-4-10(8)18/h1-7,18H,(H,16,17)(H,19,20)/b15-7+
InChIKeyBWXZVGZIQMPZJG-VIZOYTHASA-N
XLogP2.58
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid
CID 6138585
2-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]phenol
CID 135506502
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3681408
2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol
CID 135549514
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136807782
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]benzoic acid
CID 45463584
2-[(Z)-[[4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-(N-phenylanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 136898159
2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol
CID 4014004
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 136851168
6-chloro-2-(3,4-difluoroanilino)pyridine-3-carboxylic acid
CID 63376482
6-chloro-2-[2-(difluoromethylsulfanyl)anilino]pyridine-3-carboxylic acid
CID 63529030
5-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 153401692

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid (CID 135504515) is 6-chloro-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(Cl)nc1N/N=C/c1ccccc1O.
What is the InChIKey of 6-chloro-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid?
The InChIKey is BWXZVGZIQMPZJG-VIZOYTHASA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-11-6-5-9(13(19)20)12(16-11)17-15-7-8-3-1-2-4-10(8)18/h1-7,18H,(H,16,17)(H,19,20)/b15-7+.
What are the key properties of 6-chloro-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid?
6-chloro-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid has a molecular weight of 291.69 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 135504515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).