2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide

C14H14IN2O2+ — CID 8751313

IUPAC2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)C[n+]1cccc(O)c1
InChIInChI=1S/C14H13IN2O2/c1-10-7-11(15)4-5-13(10)16-14(19)9-17-6-2-3-12(18)8-17/h2-8H,9H2,1H3,(H-,16,18,19)/p+1
InChIKeyRTBUYRRJSOLCSQ-UHFFFAOYSA-O
MW369.18 g/mol
LogP2.23
Rot. Bonds3

About 2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide

2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 8751313) has the molecular formula C14H14IN2O2+ and a molecular weight of 369.18 g/mol. Its IUPAC name is 2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
PubChem CID8751313
Molecular FormulaC14H14IN2O2+
Molecular Weight369.18 g/mol
Exact Mass369.01
IUPAC Name2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)C[n+]1cccc(O)c1
InChIInChI=1S/C14H13IN2O2/c1-10-7-11(15)4-5-13(10)16-14(19)9-17-6-2-3-12(18)8-17/h2-8H,9H2,1H3,(H-,16,18,19)/p+1
InChIKeyRTBUYRRJSOLCSQ-UHFFFAOYSA-O
XLogP2.23
TPSA53.21 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylpyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 8857926
N-(2-bromo-4-methylphenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8751353
2-(3-hydroxypyridin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8751323
N-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876602
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
methyl 4-(4-iodo-2-methylanilino)-4-oxobutanoate
CID 683994
2-(ethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 4799659
N-(4-chlorophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide
CID 8751307
2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide
CID 61031719
N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
1-(3-hydroxyphenyl)-3-(4-iodo-2-methylphenyl)urea
CID 108895747
[2-(4-iodo-2-methylanilino)-2-oxoethyl] 4-hydroxybenzoate
CID 3498018

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of 2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide (CID 8751313) is 2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide is Cc1cc(I)ccc1NC(=O)C[n+]1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is RTBUYRRJSOLCSQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13IN2O2/c1-10-7-11(15)4-5-13(10)16-14(19)9-17-6-2-3-12(18)8-17/h2-8H,9H2,1H3,(H-,16,18,19)/p+1.
What are the key properties of 2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide?
2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 369.18 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyridin-1-ium-1-yl)-N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 8751313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).