2-chloro-5-hydroxy-N,N-dimethylpyridine-3-carboxamide

C8H9ClN2O2 — CID 10655673

IUPAC2-chloro-5-hydroxy-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cc(O)cnc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-11(2)8(13)6-3-5(12)4-10-7(6)9/h3-4,12H,1-2H3
InChIKeySSHDBYHPYUJCOW-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.14
Rot. Bonds1

About 2-chloro-5-hydroxy-N,N-dimethylpyridine-3-carboxamide

2-chloro-5-hydroxy-N,N-dimethylpyridine-3-carboxamide (PubChem CID 10655673) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N,N-dimethylpyridine-3-carboxamide
PubChem CID10655673
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name2-chloro-5-hydroxy-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cc(O)cnc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-11(2)8(13)6-3-5(12)4-10-7(6)9/h3-4,12H,1-2H3
InChIKeySSHDBYHPYUJCOW-UHFFFAOYSA-N
XLogP1.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-N-methylpyridine-3-carboxamide
CID 114034158
2-chloro-5-fluoro-N-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 103893092
2-(2-chloro-5-hydroxy-3-pyridinyl)acetic acid
CID 119006519
5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
CID 63694504
5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide
CID 62334858
5-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 115968474
2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 103892317
5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79389658
5-bromo-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide
CID 62000655
2-chloro-5-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103893263
5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 62001227
6-hydroxy-N,N-dimethylquinoline-4-carboxamide
CID 175724068

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-hydroxy-N,N-dimethylpyridine-3-carboxamide (CID 10655673) is 2-chloro-5-hydroxy-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-hydroxy-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1cc(O)cnc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is SSHDBYHPYUJCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-11(2)8(13)6-3-5(12)4-10-7(6)9/h3-4,12H,1-2H3.
What are the key properties of 2-chloro-5-hydroxy-N,N-dimethylpyridine-3-carboxamide?
2-chloro-5-hydroxy-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 200.62 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 10655673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).