2-aminoethanol;2-chlorobenzoic acid

C9H12ClNO3 — CID 86075909

IUPAC2-aminoethanol;2-chlorobenzoic acid
SMILESNCCO.O=C(O)c1ccccc1Cl
InChIInChI=1S/C7H5ClO2.C2H7NO/c8-6-4-2-1-3-5(6)7(9)10;3-1-2-4/h1-4H,(H,9,10);4H,1-3H2
InChIKeyUYQOEJMJOSUXSW-UHFFFAOYSA-N
MW217.65 g/mol
LogP0.98
Rot. Bonds2

About 2-aminoethanol;2-chlorobenzoic acid

2-aminoethanol;2-chlorobenzoic acid (PubChem CID 86075909) has the molecular formula C9H12ClNO3 and a molecular weight of 217.65 g/mol. Its IUPAC name is 2-aminoethanol;2-chlorobenzoic acid.

Molecular Properties

Compound Name2-aminoethanol;2-chlorobenzoic acid
PubChem CID86075909
Molecular FormulaC9H12ClNO3
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name2-aminoethanol;2-chlorobenzoic acid
SMILESNCCO.O=C(O)c1ccccc1Cl
InChIInChI=1S/C7H5ClO2.C2H7NO/c8-6-4-2-1-3-5(6)7(9)10;3-1-2-4/h1-4H,(H,9,10);4H,1-3H2
InChIKeyUYQOEJMJOSUXSW-UHFFFAOYSA-N
XLogP0.98
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chlorobenzoic acid;terbium(3+);trichloride;hydrate
CID 174885949
2-aminoethanol;2-nitrobenzoic acid
CID 158537748
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
1,4-dichlorobenzene;phthalic acid
CID 146444395
methanediol;phthalic acid
CID 70525231
2-[2-(2-chlorophenyl)ethyl]benzoic acid
CID 70516593
3-chlorophthalic acid;phthalic acid
CID 174649164
3-chloro-2-[(1R)-1,2-diaminoethyl]benzoic acid
CID 130632959
2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid
CID 4126924
CID 66717184
CID 66717184
hydron;phthalic acid
CID 67386665
phthalic acid;hydrobromide
CID 71236392

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-chlorobenzoic acid?
The IUPAC name of 2-aminoethanol;2-chlorobenzoic acid (CID 86075909) is 2-aminoethanol;2-chlorobenzoic acid.
What is the SMILES notation for 2-aminoethanol;2-chlorobenzoic acid?
The canonical SMILES for 2-aminoethanol;2-chlorobenzoic acid is NCCO.O=C(O)c1ccccc1Cl.
What is the InChIKey of 2-aminoethanol;2-chlorobenzoic acid?
The InChIKey is UYQOEJMJOSUXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO2.C2H7NO/c8-6-4-2-1-3-5(6)7(9)10;3-1-2-4/h1-4H,(H,9,10);4H,1-3H2.
What are the key properties of 2-aminoethanol;2-chlorobenzoic acid?
2-aminoethanol;2-chlorobenzoic acid has a molecular weight of 217.65 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-chlorobenzoic acid is sourced from PubChem (CID 86075909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).