4-(3-chloropropylamino)-2-hydroxybenzoic acid

C10H12ClNO3 — CID 71775574

IUPAC4-(3-chloropropylamino)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NCCCCl)cc1O
InChIInChI=1S/C10H12ClNO3/c11-4-1-5-12-7-2-3-8(10(14)15)9(13)6-7/h2-3,6,12-13H,1,4-5H2,(H,14,15)
InChIKeyHMGGAUZMBVRVNY-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.13
Rot. Bonds5

About 4-(3-chloropropylamino)-2-hydroxybenzoic acid

4-(3-chloropropylamino)-2-hydroxybenzoic acid (PubChem CID 71775574) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 4-(3-chloropropylamino)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(3-chloropropylamino)-2-hydroxybenzoic acid
PubChem CID71775574
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name4-(3-chloropropylamino)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NCCCCl)cc1O
InChIInChI=1S/C10H12ClNO3/c11-4-1-5-12-7-2-3-8(10(14)15)9(13)6-7/h2-3,6,12-13H,1,4-5H2,(H,14,15)
InChIKeyHMGGAUZMBVRVNY-UHFFFAOYSA-N
XLogP2.13
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(dodecylamino)-2-hydroxybenzoic acid
CID 150878020
4-(butylamino)-2-hydroxybenzoic acid;sulfuric acid
CID 68720617
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-hydroxybenzoic acid
CID 168579616
4-(2,2-dimethylbutanoylamino)-2-hydroxybenzoic acid
CID 55102860
2-hydroxy-4-(piperidin-1-ylmethylamino)benzoic acid
CID 86575516
4-(chlorosulfonylamino)-2-hydroxybenzoic acid
CID 175169108
4-[(4,6-dichloro-2-pyridinyl)methylamino]-2-hydroxybenzoic acid
CID 86292283
2-chloro-4-(3-methylsulfanylpropylamino)benzoic acid
CID 63963389
2-fluoro-4-(pentylamino)benzoic acid
CID 115485129
CID 70563593
CID 70563593
5-[3-(3,4-dichlorophenyl)propylamino]-2-hydroxybenzoic acid
CID 23650049
2-chloro-4-[3-(diethylamino)propylamino]benzoic acid
CID 55151863

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropylamino)-2-hydroxybenzoic acid?
The IUPAC name of 4-(3-chloropropylamino)-2-hydroxybenzoic acid (CID 71775574) is 4-(3-chloropropylamino)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(3-chloropropylamino)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(3-chloropropylamino)-2-hydroxybenzoic acid is O=C(O)c1ccc(NCCCCl)cc1O.
What is the InChIKey of 4-(3-chloropropylamino)-2-hydroxybenzoic acid?
The InChIKey is HMGGAUZMBVRVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c11-4-1-5-12-7-2-3-8(10(14)15)9(13)6-7/h2-3,6,12-13H,1,4-5H2,(H,14,15).
What are the key properties of 4-(3-chloropropylamino)-2-hydroxybenzoic acid?
4-(3-chloropropylamino)-2-hydroxybenzoic acid has a molecular weight of 229.66 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropylamino)-2-hydroxybenzoic acid is sourced from PubChem (CID 71775574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).