1-(6-amino-5-chloro-3-pyridinyl)-2,2-dimethylpropan-1-one

C10H13ClN2O — CID 71036305

IUPAC1-(6-amino-5-chloro-3-pyridinyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C10H13ClN2O/c1-10(2,3)8(14)6-4-7(11)9(12)13-5-6/h4-5H,1-3H3,(H2,12,13)
InChIKeyILZLRLAJPASFAW-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.55
Rot. Bonds1

About 1-(6-amino-5-chloro-3-pyridinyl)-2,2-dimethylpropan-1-one

1-(6-amino-5-chloro-3-pyridinyl)-2,2-dimethylpropan-1-one (PubChem CID 71036305) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-(6-amino-5-chloro-3-pyridinyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(6-amino-5-chloro-3-pyridinyl)-2,2-dimethylpropan-1-one
PubChem CID71036305
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name1-(6-amino-5-chloro-3-pyridinyl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C10H13ClN2O/c1-10(2,3)8(14)6-4-7(11)9(12)13-5-6/h4-5H,1-3H3,(H2,12,13)
InChIKeyILZLRLAJPASFAW-UHFFFAOYSA-N
XLogP2.55
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 110000831
6-amino-5-chloro-N-hydroxypyridine-3-carboxamide
CID 130615065
6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide
CID 79555286
6-amino-5-chloro-N-propylpyridine-3-carboxamide
CID 62156037
1-(6-amino-5-chloro-3-pyridinyl)-2-(propan-2-ylamino)ethanone
CID 14371385
(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone
CID 130159370
6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide
CID 62154043
6-amino-N,N-dibutyl-5-chloropyridine-3-carboxamide
CID 55042069
6-amino-5-chloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
CID 62151288
6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
CID 62185664
6-amino-5-chloro-N-cyclopropyl-N-ethylpyridine-3-carboxamide
CID 62155621
dicopper;bis(3,5-dichloropyridin-2-amine);tetraacetate
CID 139081158

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-chloro-3-pyridinyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(6-amino-5-chloro-3-pyridinyl)-2,2-dimethylpropan-1-one (CID 71036305) is 1-(6-amino-5-chloro-3-pyridinyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(6-amino-5-chloro-3-pyridinyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(6-amino-5-chloro-3-pyridinyl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 1-(6-amino-5-chloro-3-pyridinyl)-2,2-dimethylpropan-1-one?
The InChIKey is ILZLRLAJPASFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-10(2,3)8(14)6-4-7(11)9(12)13-5-6/h4-5H,1-3H3,(H2,12,13).
What are the key properties of 1-(6-amino-5-chloro-3-pyridinyl)-2,2-dimethylpropan-1-one?
1-(6-amino-5-chloro-3-pyridinyl)-2,2-dimethylpropan-1-one has a molecular weight of 212.68 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-chloro-3-pyridinyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 71036305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).