4-chloro-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid

C13H10ClN3O2 — CID 8973444

IUPAC4-chloro-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(N/N=C\c2cccnc2)c1
InChIInChI=1S/C13H10ClN3O2/c14-11-4-3-10(13(18)19)6-12(11)17-16-8-9-2-1-5-15-7-9/h1-8,17H,(H,18,19)/b16-8-
InChIKeyGJZFYRJEXYPQEL-PXNMLYILSA-N
MW275.70 g/mol
LogP2.88
Rot. Bonds4

About 4-chloro-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid

4-chloro-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid (PubChem CID 8973444) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is 4-chloro-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid
PubChem CID8973444
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC Name4-chloro-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1ccc(Cl)c(N/N=C\c2cccnc2)c1
InChIInChI=1S/C13H10ClN3O2/c14-11-4-3-10(13(18)19)6-12(11)17-16-8-9-2-1-5-15-7-9/h1-8,17H,(H,18,19)/b16-8-
InChIKeyGJZFYRJEXYPQEL-PXNMLYILSA-N
XLogP2.88
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid
CID 6110649
4-chloro-3-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 8973534
3-[(2Z)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-4-chlorobenzoic acid
CID 8973463
3-chloro-4-methyl-N-(pyridin-3-ylmethylideneamino)benzamide
CID 1072497
4-chloro-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 8973526
4-chloro-3-nitro-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
CID 5416780
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[(E)-pyridin-3-ylmethylideneamino]butanediamide
CID 35796779
4-chloro-3-[(2Z)-2-[(1-phenylpyrazol-4-yl)methylidene]hydrazinyl]benzoate
CID 8974334
N-[(Z)-pyridin-3-ylmethylideneamino]aniline
CID 5375484
N-(2-chlorophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 4633351
3-[(2Z)-2-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methylidene]hydrazinyl]-4-chlorobenzoic acid
CID 8974021
2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline
CID 3482722

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid?
The IUPAC name of 4-chloro-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid (CID 8973444) is 4-chloro-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid is O=C(O)c1ccc(Cl)c(N/N=C\c2cccnc2)c1.
What is the InChIKey of 4-chloro-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid?
The InChIKey is GJZFYRJEXYPQEL-PXNMLYILSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c14-11-4-3-10(13(18)19)6-12(11)17-16-8-9-2-1-5-15-7-9/h1-8,17H,(H,18,19)/b16-8-.
What are the key properties of 4-chloro-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid?
4-chloro-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid has a molecular weight of 275.70 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid is sourced from PubChem (CID 8973444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).