4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol

C23H24Cl3N5O3 — CID 158612608

IUPAC4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol
SMILESCc1cc(C)n(-c2ccc(O)c(Cl)c2)n1.NNc1ccc(O)c(Cl)c1.Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H11ClN2O.C6H7ClN2O.C6H6ClNO/c1-7-5-8(2)14(13-7)9-3-4-11(15)10(12)6-9;7-5-3-4(9-8)1-2-6(5)10;7-5-3-4(8)1-2-6(5)9/h3-6,15H,1-2H3;1-3,9-10H,8H2;1-3,9H,8H2
InChIKeyHXADLBGRIUSMEE-UHFFFAOYSA-N
MW524.84 g/mol
LogP5.81
Rot. Bonds2

About 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol

4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol (PubChem CID 158612608) has the molecular formula C23H24Cl3N5O3 and a molecular weight of 524.84 g/mol. Its IUPAC name is 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol.

Molecular Properties

Compound Name4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol
PubChem CID158612608
Molecular FormulaC23H24Cl3N5O3
Molecular Weight524.84 g/mol
Exact Mass523.09
IUPAC Name4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol
SMILESCc1cc(C)n(-c2ccc(O)c(Cl)c2)n1.NNc1ccc(O)c(Cl)c1.Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H11ClN2O.C6H7ClN2O.C6H6ClNO/c1-7-5-8(2)14(13-7)9-3-4-11(15)10(12)6-9;7-5-3-4(9-8)1-2-6(5)10;7-5-3-4(8)1-2-6(5)9/h3-6,15H,1-2H3;1-3,9-10H,8H2;1-3,9H,8H2
InChIKeyHXADLBGRIUSMEE-UHFFFAOYSA-N
XLogP5.81
TPSA142.58 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500524.84
LogP ≤ 55.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol?
The IUPAC name of 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol (CID 158612608) is 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol.
What is the SMILES notation for 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol?
The canonical SMILES for 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol is Cc1cc(C)n(-c2ccc(O)c(Cl)c2)n1.NNc1ccc(O)c(Cl)c1.Nc1ccc(O)c(Cl)c1.
What is the InChIKey of 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol?
The InChIKey is HXADLBGRIUSMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O.C6H7ClN2O.C6H6ClNO/c1-7-5-8(2)14(13-7)9-3-4-11(15)10(12)6-9;7-5-3-4(9-8)1-2-6(5)10;7-5-3-4(8)1-2-6(5)9/h3-6,15H,1-2H3;1-3,9-10H,8H2;1-3,9H,8H2.
What are the key properties of 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol?
4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol has a molecular weight of 524.84 g/mol, XLogP of 5.81, 2 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chlorophenol;2-chloro-4-(3,5-dimethylpyrazol-1-yl)phenol;2-chloro-4-hydrazinylphenol is sourced from PubChem (CID 158612608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).