6-(dimethylamino)pyridine-3-carbonyl chloride

C8H9ClN2O — CID 45081550

IUPAC6-(dimethylamino)pyridine-3-carbonyl chloride
SMILESCN(C)c1ccc(C(=O)Cl)cn1
InChIInChI=1S/C8H9ClN2O/c1-11(2)7-4-3-6(5-10-7)8(9)12/h3-5H,1-2H3
InChIKeyMJUFMRGUYNTDKX-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.53
Rot. Bonds2

About 6-(dimethylamino)pyridine-3-carbonyl chloride

6-(dimethylamino)pyridine-3-carbonyl chloride (PubChem CID 45081550) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 6-(dimethylamino)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-(dimethylamino)pyridine-3-carbonyl chloride
PubChem CID45081550
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name6-(dimethylamino)pyridine-3-carbonyl chloride
SMILESCN(C)c1ccc(C(=O)Cl)cn1
InChIInChI=1S/C8H9ClN2O/c1-11(2)7-4-3-6(5-10-7)8(9)12/h3-5H,1-2H3
InChIKeyMJUFMRGUYNTDKX-UHFFFAOYSA-N
XLogP1.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 140659718
CID 140659718
[6-(dimethylamino)pyridine-3-carbonyl]-hydroxycarbamic acid
CID 174435499
3-[6-(dimethylamino)-3-pyridinyl]-3-oxopropanoic acid
CID 151348465
6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride
CID 159595421
[6-(dimethylamino)-3-pyridinyl]-(3,4-dimethylphenyl)methanone
CID 114273237
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 79410918
N-cyclooctyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400603
6-(dimethylamino)-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79031520
N-cycloheptyl-6-(dimethylamino)pyridine-3-carboxamide
CID 39400820
6-(dimethylamino)pyridin-3-ol
CID 11715188
6-(dimethylamino)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120828209
[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261774

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)pyridine-3-carbonyl chloride?
The IUPAC name of 6-(dimethylamino)pyridine-3-carbonyl chloride (CID 45081550) is 6-(dimethylamino)pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-(dimethylamino)pyridine-3-carbonyl chloride?
The canonical SMILES for 6-(dimethylamino)pyridine-3-carbonyl chloride is CN(C)c1ccc(C(=O)Cl)cn1.
What is the InChIKey of 6-(dimethylamino)pyridine-3-carbonyl chloride?
The InChIKey is MJUFMRGUYNTDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-11(2)7-4-3-6(5-10-7)8(9)12/h3-5H,1-2H3.
What are the key properties of 6-(dimethylamino)pyridine-3-carbonyl chloride?
6-(dimethylamino)pyridine-3-carbonyl chloride has a molecular weight of 184.63 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)pyridine-3-carbonyl chloride is sourced from PubChem (CID 45081550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).