5,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide

C11H12Cl2N2O2 — CID 80717032

IUPAC5,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(CO)CC1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2O2/c12-8-3-7(4-14-9(8)13)10(17)15-5-11(6-16)1-2-11/h3-4,16H,1-2,5-6H2,(H,15,17)
InChIKeyZBPVDOCMYXBXSP-UHFFFAOYSA-N
MW275.13 g/mol
LogP1.89
Rot. Bonds4

About 5,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide

5,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide (PubChem CID 80717032) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 5,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
PubChem CID80717032
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name5,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(CO)CC1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2O2/c12-8-3-7(4-14-9(8)13)10(17)15-5-11(6-16)1-2-11/h3-4,16H,1-2,5-6H2,(H,15,17)
InChIKeyZBPVDOCMYXBXSP-UHFFFAOYSA-N
XLogP1.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 51.89
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-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 103737222
5,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-carboxamide
CID 107271693
5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 46462401
4-amino-3,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 82832457
5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 61367940
3-bromo-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 103842937
2-chloro-4,5-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80717016
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 115701162
5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 103918869
3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115362194
6-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 80707921
3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701177

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide (CID 80717032) is 5,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide is O=C(NCC1(CO)CC1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide?
The InChIKey is ZBPVDOCMYXBXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c12-8-3-7(4-14-9(8)13)10(17)15-5-11(6-16)1-2-11/h3-4,16H,1-2,5-6H2,(H,15,17).
What are the key properties of 5,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide?
5,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide has a molecular weight of 275.13 g/mol, XLogP of 1.89, 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-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 80717032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).