3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide

C11H12Cl2N2O2 — CID 115878600

IUPAC3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide
SMILESO=C(NC1(CO)CCC1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c12-7-2-3-8(13)14-9(7)10(17)15-11(6-16)4-1-5-11/h2-3,16H,1,4-6H2,(H,15,17)
InChIKeySXTHFUTYPDRBNK-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.03
Rot. Bonds3

About 3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide

3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide (PubChem CID 115878600) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide
PubChem CID115878600
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide
SMILESO=C(NC1(CO)CCC1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c12-7-2-3-8(13)14-9(7)10(17)15-11(6-16)4-1-5-11/h2-3,16H,1,4-6H2,(H,15,17)
InChIKeySXTHFUTYPDRBNK-UHFFFAOYSA-N
XLogP2.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.03
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

6-(3-Chloro-phenyl)-pyridine-2-carboxylic acid (1-ethyl-1-hydroxymethyl-propyl)-amide
CID 71093643
3,6-Dichloro-pyridine-2-carboxylic acid amide
CID 728681
6-chloro-3-fluoro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 123506093
3,6-Dichloro-N-phenylpicolinamide
CID 26719075
4-chloro-N,N'-bis[(s)-2-hydroxy-1-isopropylethyl]pyridine-2,6-dicarboxamide
CID 129732437
3,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2-carboxamide
CID 60730878
3,6-dichloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 61053442
3,6-dichloro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 71906942
2-[(6-Chloropyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79795992
3,6-dichloro-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide
CID 97087482
3,6-dichloro-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyridine-2-carboxamide
CID 97087483
3,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2-carboxamide
CID 103082373

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide (CID 115878600) is 3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide is O=C(NC1(CO)CCC1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide?
The InChIKey is SXTHFUTYPDRBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c12-7-2-3-8(13)14-9(7)10(17)15-11(6-16)4-1-5-11/h2-3,16H,1,4-6H2,(H,15,17).
What are the key properties of 3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide?
3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide has a molecular weight of 275.13 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 115878600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).