4-[chloro(methoxy)methyl]pyridine-2-carboxamide

C8H9ClN2O2 — CID 91260878

IUPAC4-[chloro(methoxy)methyl]pyridine-2-carboxamide
SMILESCOC(Cl)c1ccnc(C(N)=O)c1
InChIInChI=1S/C8H9ClN2O2/c1-13-7(9)5-2-3-11-6(4-5)8(10)12/h2-4,7H,1H3,(H2,10,12)
InChIKeyICORMIOXMKGURA-UHFFFAOYSA-N
MW200.63 g/mol
LogP1.06
Rot. Bonds3

About 4-[chloro(methoxy)methyl]pyridine-2-carboxamide

4-[chloro(methoxy)methyl]pyridine-2-carboxamide (PubChem CID 91260878) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is 4-[chloro(methoxy)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[chloro(methoxy)methyl]pyridine-2-carboxamide
PubChem CID91260878
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name4-[chloro(methoxy)methyl]pyridine-2-carboxamide
SMILESCOC(Cl)c1ccnc(C(N)=O)c1
InChIInChI=1S/C8H9ClN2O2/c1-13-7(9)5-2-3-11-6(4-5)8(10)12/h2-4,7H,1H3,(H2,10,12)
InChIKeyICORMIOXMKGURA-UHFFFAOYSA-N
XLogP1.06
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[chloro(methoxy)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-[chloro(methoxy)methyl]pyridine-2-carboxamide (CID 91260878) is 4-[chloro(methoxy)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[chloro(methoxy)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[chloro(methoxy)methyl]pyridine-2-carboxamide is COC(Cl)c1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[chloro(methoxy)methyl]pyridine-2-carboxamide?
The InChIKey is ICORMIOXMKGURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-13-7(9)5-2-3-11-6(4-5)8(10)12/h2-4,7H,1H3,(H2,10,12).
What are the key properties of 4-[chloro(methoxy)methyl]pyridine-2-carboxamide?
4-[chloro(methoxy)methyl]pyridine-2-carboxamide has a molecular weight of 200.63 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(methoxy)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 91260878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).