5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide

C9H10Cl2N2O2 — CID 79027668

IUPAC5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
SMILESC[C@H](CO)NC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2N2O2/c1-5(4-14)13-9(15)6-2-7(10)8(11)12-3-6/h2-3,5,14H,4H2,1H3,(H,13,15)/t5-/m1/s1
InChIKeyUQDSSJNRYJIEML-RXMQYKEDSA-N
MW249.10 g/mol
LogP1.50
Rot. Bonds3

About 5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide

5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide (PubChem CID 79027668) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is 5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
PubChem CID79027668
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Name5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
SMILESC[C@H](CO)NC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2N2O2/c1-5(4-14)13-9(15)6-2-7(10)8(11)12-3-6/h2-3,5,14H,4H2,1H3,(H,13,15)/t5-/m1/s1
InChIKeyUQDSSJNRYJIEML-RXMQYKEDSA-N
XLogP1.50
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 51.50
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-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 93040790
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide
CID 130550792
5,6-dichloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-carboxamide
CID 7987043
(2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 78975722
5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide
CID 22830772
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 47162672
5,6-dichloro-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63259936
5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 115746097
N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 47097753
5,6-dichloro-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]pyridine-3-carboxamide
CID 7999529
2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide (CID 79027668) is 5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide is C[C@H](CO)NC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide?
The InChIKey is UQDSSJNRYJIEML-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c1-5(4-14)13-9(15)6-2-7(10)8(11)12-3-6/h2-3,5,14H,4H2,1H3,(H,13,15)/t5-/m1/s1.
What are the key properties of 5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide?
5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide has a molecular weight of 249.10 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 79027668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).