3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide

C10H8Cl2N4O — CID 47285902

IUPAC3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccn[nH]1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C10H8Cl2N4O/c11-7-1-2-8(12)15-9(7)10(17)13-5-6-3-4-14-16-6/h1-4H,5H2,(H,13,17)(H,14,16)
InChIKeyXJZBMCOMRGKBSH-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.04
Rot. Bonds3

About 3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide

3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide (PubChem CID 47285902) has the molecular formula C10H8Cl2N4O and a molecular weight of 271.11 g/mol. Its IUPAC name is 3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide
PubChem CID47285902
Molecular FormulaC10H8Cl2N4O
Molecular Weight271.11 g/mol
Exact Mass270.01
IUPAC Name3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccn[nH]1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C10H8Cl2N4O/c11-7-1-2-8(12)15-9(7)10(17)13-5-6-3-4-14-16-6/h1-4H,5H2,(H,13,17)(H,14,16)
InChIKeyXJZBMCOMRGKBSH-UHFFFAOYSA-N
XLogP2.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.04
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

N-(2-chloro-3-pyridinyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1225828
N-(2-Chlorophenyl)-1H-pyrazole-3-carboxamide
CID 668390
4-chloro-1,3-dimethyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 5410826
4-chloro-1-methyl-N'-[1-(3-pyridinyl)ethylidene]-1H-pyrazole-5-carbohydrazide
CID 9618019
N-(5-Chloropyridin-2-yl)pyrazole-3-carboxamide
CID 16667292
4-chloro-2,5-dimethyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-3-carboxamide
CID 6873491
4-chloro-1-methyl-N'-(2-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6873495
N-(2-chlorophenyl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 44449336
4-chloro-1-methyl-N-(3-pyridyl)-1H-pyrazole-5-carboxamide
CID 700794
4-chloro-1-ethyl-N-4-pyridinyl-1H-pyrazole-5-carboxamide
CID 892623
5-Chloro-N-[2-({[1-phenyl-3-(trifluoromethyl)-1Hpyrazol-4-yl]carbonyl}amino)ethyl]pyridine-2-carboxamide
CID 46885189
4-chloro-1-(4-piperidyl)-N-(5-(2-pyridyl)-1H-pyrazol-4-yl)pyrazole-3-carboxamide
CID 85325326

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide (CID 47285902) is 3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccn[nH]1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide?
The InChIKey is XJZBMCOMRGKBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O/c11-7-1-2-8(12)15-9(7)10(17)13-5-6-3-4-14-16-6/h1-4H,5H2,(H,13,17)(H,14,16).
What are the key properties of 3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide?
3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide has a molecular weight of 271.11 g/mol, XLogP of 2.04, 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-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 47285902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).