5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide

C14H12Cl2N2O2 — CID 63311124

IUPAC5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(CO)c1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2/c15-12-5-11(7-17-13(12)16)14(20)18-6-9-2-1-3-10(4-9)8-19/h1-5,7,19H,6,8H2,(H,18,20)
InChIKeyXPTSHXPCFGUZPB-UHFFFAOYSA-N
MW311.17 g/mol
LogP2.81
Rot. Bonds4

About 5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide

5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 63311124) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID63311124
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(CO)c1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2/c15-12-5-11(7-17-13(12)16)14(20)18-6-9-2-1-3-10(4-9)8-19/h1-5,7,19H,6,8H2,(H,18,20)
InChIKeyXPTSHXPCFGUZPB-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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-[[3-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 60789641
5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55769960
5,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 62537774
4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 81002022
N-[[3-(hydroxymethyl)phenyl]methyl]-6-methoxypyridine-3-carboxamide
CID 63310970
2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480
3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 66483783
5,6-dichloro-N-[2-(3-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 43400487
6-amino-N-benzyl-5-chloropyridine-3-carboxamide
CID 62153073
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
5,6-dichloro-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63259936

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide (CID 63311124) is 5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1cccc(CO)c1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is XPTSHXPCFGUZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-12-5-11(7-17-13(12)16)14(20)18-6-9-2-1-3-10(4-9)8-19/h1-5,7,19H,6,8H2,(H,18,20).
What are the key properties of 5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide?
5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 311.17 g/mol, XLogP of 2.81, 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-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 63311124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).