(2R)-1-(3-amino-2-iodophenyl)but-3-yn-2-ol

C10H10INO — CID 155021950

IUPAC(2R)-1-(3-amino-2-iodophenyl)but-3-yn-2-ol
SMILESC#C[C@H](O)Cc1cccc(N)c1I
InChIInChI=1S/C10H10INO/c1-2-8(13)6-7-4-3-5-9(12)10(7)11/h1,3-5,8,13H,6,12H2/t8-/m0/s1
InChIKeySXCCLYVUVDIEAB-QMMMGPOBSA-N
MW287.10 g/mol
LogP1.41
Rot. Bonds2

About (2R)-1-(3-amino-2-iodophenyl)but-3-yn-2-ol

(2R)-1-(3-amino-2-iodophenyl)but-3-yn-2-ol (PubChem CID 155021950) has the molecular formula C10H10INO and a molecular weight of 287.10 g/mol. Its IUPAC name is (2R)-1-(3-amino-2-iodophenyl)but-3-yn-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-amino-2-iodophenyl)but-3-yn-2-ol
PubChem CID155021950
Molecular FormulaC10H10INO
Molecular Weight287.10 g/mol
Exact Mass286.98
IUPAC Name(2R)-1-(3-amino-2-iodophenyl)but-3-yn-2-ol
SMILESC#C[C@H](O)Cc1cccc(N)c1I
InChIInChI=1S/C10H10INO/c1-2-8(13)6-7-4-3-5-9(12)10(7)11/h1,3-5,8,13H,6,12H2/t8-/m0/s1
InChIKeySXCCLYVUVDIEAB-QMMMGPOBSA-N
XLogP1.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)but-3-yn-2-ol
CID 115811161
1-[2-(2,5-difluorophenyl)phenyl]but-3-yn-2-ol
CID 88785057
3-(3-amino-2-methylphenyl)propane-1,2-diol
CID 174811459
2-iodo-3-(3-triethylsilylprop-2-ynoxymethyl)aniline
CID 175893658
(2R)-1-(2-iodo-3-methylphenyl)propan-2-amine
CID 131014197
(2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 130643080
3-amino-2-iodobenzoic acid
CID 22266658
3-(aminomethyl)-2-chloroaniline
CID 69499181
2-(2-aminophenyl)acetic acid;pent-1-yne
CID 88718243
1-[5-(2-hydroxy-3,3-dimethylbutyl)naphthalen-1-yl]-3,3-dimethylbutan-2-ol
CID 139893720
2-(2-amino-3-iodophenyl)acetic acid
CID 91873765
(5-aminonaphthalen-1-yl)methanol
CID 117275395

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-amino-2-iodophenyl)but-3-yn-2-ol?
The IUPAC name of (2R)-1-(3-amino-2-iodophenyl)but-3-yn-2-ol (CID 155021950) is (2R)-1-(3-amino-2-iodophenyl)but-3-yn-2-ol.
What is the SMILES notation for (2R)-1-(3-amino-2-iodophenyl)but-3-yn-2-ol?
The canonical SMILES for (2R)-1-(3-amino-2-iodophenyl)but-3-yn-2-ol is C#C[C@H](O)Cc1cccc(N)c1I.
What is the InChIKey of (2R)-1-(3-amino-2-iodophenyl)but-3-yn-2-ol?
The InChIKey is SXCCLYVUVDIEAB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10INO/c1-2-8(13)6-7-4-3-5-9(12)10(7)11/h1,3-5,8,13H,6,12H2/t8-/m0/s1.
What are the key properties of (2R)-1-(3-amino-2-iodophenyl)but-3-yn-2-ol?
(2R)-1-(3-amino-2-iodophenyl)but-3-yn-2-ol has a molecular weight of 287.10 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-amino-2-iodophenyl)but-3-yn-2-ol is sourced from PubChem (CID 155021950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).