5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide

C14H12Cl2N2O2 — CID 51985204

IUPAC5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2/c15-12-7-10(8-17-13(12)16)14(20)18-11-3-1-9(2-4-11)5-6-19/h1-4,7-8,19H,5-6H2,(H,18,20)
InChIKeySRNCFUWTXDPOEK-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.18
Rot. Bonds4

About 5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide

5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide (PubChem CID 51985204) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
PubChem CID51985204
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(CCO)cc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2/c15-12-7-10(8-17-13(12)16)14(20)18-11-3-1-9(2-4-11)5-6-19/h1-4,7-8,19H,5-6H2,(H,18,20)
InChIKeySRNCFUWTXDPOEK-UHFFFAOYSA-N
XLogP3.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5,6-dichloro-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide
CID 46799163
N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7760364
5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 2477549
N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7935724
N-[4-(2-hydroxyethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 51985113
6-[[4-(2-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 61236807
N-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide
CID 104627400
5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 107573379
N-[4-(2-hydroxyethyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 61221260
3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide
CID 61221964
N-(3-bromophenyl)-5,6-dichloropyridine-3-carboxamide
CID 2095074
N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide
CID 2471203

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide (CID 51985204) is 5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(CCO)cc1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is SRNCFUWTXDPOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-12-7-10(8-17-13(12)16)14(20)18-11-3-1-9(2-4-11)5-6-19/h1-4,7-8,19H,5-6H2,(H,18,20).
What are the key properties of 5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide?
5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 311.17 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 51985204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).