2-chloro-6-methylpyridine-3-carboxamide;dihydrochloride

C7H9Cl3N2O — CID 87764222

IUPAC2-chloro-6-methylpyridine-3-carboxamide;dihydrochloride
SMILESCc1ccc(C(N)=O)c(Cl)n1.Cl.Cl
InChIInChI=1S/C7H7ClN2O.2ClH/c1-4-2-3-5(7(9)11)6(8)10-4;;/h2-3H,1H3,(H2,9,11);2*1H
InChIKeyCTQBWWYEKGDJTD-UHFFFAOYSA-N
MW243.52 g/mol
LogP1.99
Rot. Bonds1

About 2-chloro-6-methylpyridine-3-carboxamide;dihydrochloride

2-chloro-6-methylpyridine-3-carboxamide;dihydrochloride (PubChem CID 87764222) has the molecular formula C7H9Cl3N2O and a molecular weight of 243.52 g/mol. Its IUPAC name is 2-chloro-6-methylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-chloro-6-methylpyridine-3-carboxamide;dihydrochloride
PubChem CID87764222
Molecular FormulaC7H9Cl3N2O
Molecular Weight243.52 g/mol
Exact Mass241.98
IUPAC Name2-chloro-6-methylpyridine-3-carboxamide;dihydrochloride
SMILESCc1ccc(C(N)=O)c(Cl)n1.Cl.Cl
InChIInChI=1S/C7H7ClN2O.2ClH/c1-4-2-3-5(7(9)11)6(8)10-4;;/h2-3H,1H3,(H2,9,11);2*1H
InChIKeyCTQBWWYEKGDJTD-UHFFFAOYSA-N
XLogP1.99
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.52
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 2-chloro-6-methylpyridine-3-carboxamide;dihydrochloride (CID 87764222) is 2-chloro-6-methylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2-chloro-6-methylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 2-chloro-6-methylpyridine-3-carboxamide;dihydrochloride is Cc1ccc(C(N)=O)c(Cl)n1.Cl.Cl.
What is the InChIKey of 2-chloro-6-methylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is CTQBWWYEKGDJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O.2ClH/c1-4-2-3-5(7(9)11)6(8)10-4;;/h2-3H,1H3,(H2,9,11);2*1H.
What are the key properties of 2-chloro-6-methylpyridine-3-carboxamide;dihydrochloride?
2-chloro-6-methylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 243.52 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 87764222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).