3,5-dichloro-N-[2-hydroxy-1-(4-iodophenyl)ethyl]pyridine-4-carboxamide

C14H11Cl2IN2O2 — CID 20820227

IUPAC3,5-dichloro-N-[2-hydroxy-1-(4-iodophenyl)ethyl]pyridine-4-carboxamide
SMILESO=C(NC(CO)c1ccc(I)cc1)c1c(Cl)cncc1Cl
InChIInChI=1S/C14H11Cl2IN2O2/c15-10-5-18-6-11(16)13(10)14(21)19-12(7-20)8-1-3-9(17)4-2-8/h1-6,12,20H,7H2,(H,19,21)
InChIKeyXAQYOQJTTITXID-UHFFFAOYSA-N
MW437.06 g/mol
LogP3.46
Rot. Bonds4

About 3,5-dichloro-N-[2-hydroxy-1-(4-iodophenyl)ethyl]pyridine-4-carboxamide

3,5-dichloro-N-[2-hydroxy-1-(4-iodophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 20820227) has the molecular formula C14H11Cl2IN2O2 and a molecular weight of 437.06 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-hydroxy-1-(4-iodophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-hydroxy-1-(4-iodophenyl)ethyl]pyridine-4-carboxamide
PubChem CID20820227
Molecular FormulaC14H11Cl2IN2O2
Molecular Weight437.06 g/mol
Exact Mass435.92
IUPAC Name3,5-dichloro-N-[2-hydroxy-1-(4-iodophenyl)ethyl]pyridine-4-carboxamide
SMILESO=C(NC(CO)c1ccc(I)cc1)c1c(Cl)cncc1Cl
InChIInChI=1S/C14H11Cl2IN2O2/c15-10-5-18-6-11(16)13(10)14(21)19-12(7-20)8-1-3-9(17)4-2-8/h1-6,12,20H,7H2,(H,19,21)
InChIKeyXAQYOQJTTITXID-UHFFFAOYSA-N
XLogP3.46
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.06
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide
CID 22344553
N-[1-(3-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide
CID 139978166
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 86800518
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
3,5-dichloro-N-[2-hydroxy-1-(4-methylphenyl)propyl]pyridine-4-carboxamide
CID 142103685
4-chloro-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-3-carboxamide
CID 81226919
(3S)-3-(4-chlorophenyl)-3-[(2,6-dichlorobenzoyl)amino]propanoate
CID 7310460
N-[1-(4-bromophenyl)propyl]-4-chloropyridine-3-carboxamide
CID 81226484
4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 110004659
2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-iodobenzamide
CID 103526856
3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride
CID 175522535

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-hydroxy-1-(4-iodophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3,5-dichloro-N-[2-hydroxy-1-(4-iodophenyl)ethyl]pyridine-4-carboxamide (CID 20820227) is 3,5-dichloro-N-[2-hydroxy-1-(4-iodophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-[2-hydroxy-1-(4-iodophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3,5-dichloro-N-[2-hydroxy-1-(4-iodophenyl)ethyl]pyridine-4-carboxamide is O=C(NC(CO)c1ccc(I)cc1)c1c(Cl)cncc1Cl.
What is the InChIKey of 3,5-dichloro-N-[2-hydroxy-1-(4-iodophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is XAQYOQJTTITXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2IN2O2/c15-10-5-18-6-11(16)13(10)14(21)19-12(7-20)8-1-3-9(17)4-2-8/h1-6,12,20H,7H2,(H,19,21).
What are the key properties of 3,5-dichloro-N-[2-hydroxy-1-(4-iodophenyl)ethyl]pyridine-4-carboxamide?
3,5-dichloro-N-[2-hydroxy-1-(4-iodophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 437.06 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-hydroxy-1-(4-iodophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 20820227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).