2-[(4-chloro-2-hydroxyphenyl)methylideneamino]acetic acid

C9H8ClNO3 — CID 136866026

IUPAC2-[(4-chloro-2-hydroxyphenyl)methylideneamino]acetic acid
SMILESO=C(O)C/N=C/c1ccc(Cl)cc1O
InChIInChI=1S/C9H8ClNO3/c10-7-2-1-6(8(12)3-7)4-11-5-9(13)14/h1-4,12H,5H2,(H,13,14)/b11-4+
InChIKeyDATILTIEQMCQRX-NYYWCZLTSA-N
MW213.62 g/mol
LogP1.55
Rot. Bonds3

About 2-[(4-chloro-2-hydroxyphenyl)methylideneamino]acetic acid

2-[(4-chloro-2-hydroxyphenyl)methylideneamino]acetic acid (PubChem CID 136866026) has the molecular formula C9H8ClNO3 and a molecular weight of 213.62 g/mol. Its IUPAC name is 2-[(4-chloro-2-hydroxyphenyl)methylideneamino]acetic acid.

Molecular Properties

Compound Name2-[(4-chloro-2-hydroxyphenyl)methylideneamino]acetic acid
PubChem CID136866026
Molecular FormulaC9H8ClNO3
Molecular Weight213.62 g/mol
Exact Mass213.02
IUPAC Name2-[(4-chloro-2-hydroxyphenyl)methylideneamino]acetic acid
SMILESO=C(O)C/N=C/c1ccc(Cl)cc1O
InChIInChI=1S/C9H8ClNO3/c10-7-2-1-6(8(12)3-7)4-11-5-9(13)14/h1-4,12H,5H2,(H,13,14)/b11-4+
InChIKeyDATILTIEQMCQRX-NYYWCZLTSA-N
XLogP1.55
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromo-2-hydroxyphenyl)methylideneamino]acetic acid
CID 5247870
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid
CID 136811178
azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde
CID 161490550
[4-[3,5-bis(carboxymethyliminomethyl)-4-hydroxyphenyl]-2,6-bis(carboxymethyliminomethyl)phenyl]oxidanium
CID 142278413
4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136909314
4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 135716285
2-(3-azidoprop-1-enyl)-5-chlorophenol
CID 169461367
2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135710875
5-chloro-2-(2-methylprop-1-enyl)phenol
CID 13333887
(E)-3-(4-chloro-2-hydroxyphenyl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
CID 175887439
2-[(3-chlorophenyl)methyliminomethyl]phenol
CID 135629536
2-[[2-(trifluoromethyl)phenyl]methylideneamino]acetic acid
CID 154015748

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-hydroxyphenyl)methylideneamino]acetic acid?
The IUPAC name of 2-[(4-chloro-2-hydroxyphenyl)methylideneamino]acetic acid (CID 136866026) is 2-[(4-chloro-2-hydroxyphenyl)methylideneamino]acetic acid.
What is the SMILES notation for 2-[(4-chloro-2-hydroxyphenyl)methylideneamino]acetic acid?
The canonical SMILES for 2-[(4-chloro-2-hydroxyphenyl)methylideneamino]acetic acid is O=C(O)C/N=C/c1ccc(Cl)cc1O.
What is the InChIKey of 2-[(4-chloro-2-hydroxyphenyl)methylideneamino]acetic acid?
The InChIKey is DATILTIEQMCQRX-NYYWCZLTSA-N. The full InChI is InChI=1S/C9H8ClNO3/c10-7-2-1-6(8(12)3-7)4-11-5-9(13)14/h1-4,12H,5H2,(H,13,14)/b11-4+.
What are the key properties of 2-[(4-chloro-2-hydroxyphenyl)methylideneamino]acetic acid?
2-[(4-chloro-2-hydroxyphenyl)methylideneamino]acetic acid has a molecular weight of 213.62 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-hydroxyphenyl)methylideneamino]acetic acid is sourced from PubChem (CID 136866026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).