6-chloro-N,N,3-trimethylpyridine-2-carboxamide

C9H11ClN2O — CID 129104169

IUPAC6-chloro-N,N,3-trimethylpyridine-2-carboxamide
SMILESCc1ccc(Cl)nc1C(=O)N(C)C
InChIInChI=1S/C9H11ClN2O/c1-6-4-5-7(10)11-8(6)9(13)12(2)3/h4-5H,1-3H3
InChIKeyUAMBZRTWLRIQIT-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.75
Rot. Bonds1

About 6-chloro-N,N,3-trimethylpyridine-2-carboxamide

6-chloro-N,N,3-trimethylpyridine-2-carboxamide (PubChem CID 129104169) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 6-chloro-N,N,3-trimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N,N,3-trimethylpyridine-2-carboxamide
PubChem CID129104169
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name6-chloro-N,N,3-trimethylpyridine-2-carboxamide
SMILESCc1ccc(Cl)nc1C(=O)N(C)C
InChIInChI=1S/C9H11ClN2O/c1-6-4-5-7(10)11-8(6)9(13)12(2)3/h4-5H,1-3H3
InChIKeyUAMBZRTWLRIQIT-UHFFFAOYSA-N
XLogP1.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.75
H-Bond Donors ≤ 50
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 6-chloro-N,N,3-trimethylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-N,N,3-trimethylpyridine-2-carboxamide (CID 129104169) is 6-chloro-N,N,3-trimethylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N,N,3-trimethylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N,N,3-trimethylpyridine-2-carboxamide is Cc1ccc(Cl)nc1C(=O)N(C)C.
What is the InChIKey of 6-chloro-N,N,3-trimethylpyridine-2-carboxamide?
The InChIKey is UAMBZRTWLRIQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-6-4-5-7(10)11-8(6)9(13)12(2)3/h4-5H,1-3H3.
What are the key properties of 6-chloro-N,N,3-trimethylpyridine-2-carboxamide?
6-chloro-N,N,3-trimethylpyridine-2-carboxamide has a molecular weight of 198.65 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N,3-trimethylpyridine-2-carboxamide is sourced from PubChem (CID 129104169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).