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

C11H12Cl2N2O2 — CID 106994170

IUPAC2,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(CO)CC1)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c12-8-2-1-7(9(13)15-8)10(17)14-5-11(6-16)3-4-11/h1-2,16H,3-6H2,(H,14,17)
InChIKeySDTBKVDZRUTXOR-UHFFFAOYSA-N
MW275.13 g/mol
LogP1.89
Rot. Bonds4

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

2,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide (PubChem CID 106994170) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 2,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
PubChem CID106994170
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name2,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(CO)CC1)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c12-8-2-1-7(9(13)15-8)10(17)14-5-11(6-16)3-4-11/h1-2,16H,3-6H2,(H,14,17)
InChIKeySDTBKVDZRUTXOR-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

2,6-dichloro-N-[1-(hydroxymethyl)cyclopropyl]pyridine-3-carboxamide
CID 106994379
2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide
CID 106687086
2,6-dichloro-N-[(2-methyloxolan-2-yl)methyl]pyridine-3-carboxamide
CID 103747169
2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 107851393
2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide
CID 103767627
4-chloro-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362566
3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 114751194
2-chloro-4,5-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80717016
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,6-dimethylpyridazine-4-carboxamide
CID 112548491
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 115701162
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,6-dimethylpyridine-3-carboxamide
CID 115701312
2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 106994483

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide (CID 106994170) is 2,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide is O=C(NCC1(CO)CC1)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide?
The InChIKey is SDTBKVDZRUTXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c12-8-2-1-7(9(13)15-8)10(17)14-5-11(6-16)3-4-11/h1-2,16H,3-6H2,(H,14,17).
What are the key properties of 2,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide?
2,6-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 2,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 106994170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).