1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one

C9H11ClN2O — CID 118065331

IUPAC1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(Cl)ncc1N
InChIInChI=1S/C9H11ClN2O/c1-5(2)9(13)6-3-8(10)12-4-7(6)11/h3-5H,11H2,1-2H3
InChIKeyZXVYBACNNFAACZ-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.16
Rot. Bonds2

About 1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one

1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one (PubChem CID 118065331) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one
PubChem CID118065331
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(Cl)ncc1N
InChIInChI=1S/C9H11ClN2O/c1-5(2)9(13)6-3-8(10)12-4-7(6)11/h3-5H,11H2,1-2H3
InChIKeyZXVYBACNNFAACZ-UHFFFAOYSA-N
XLogP2.16
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid
CID 156538639
5-amino-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-4-carboxamide
CID 114089562
5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide
CID 114089470
1-ethoxypropan-2-yl 5-amino-2-chloropyridine-4-carboxylate
CID 114090919
5-amino-2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-4-carboxamide
CID 114089535
5-amino-2-chloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 114089576
5-amino-2-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
CID 114089452
5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 114089506
5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide
CID 130727934
5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114158282
5-amino-2-chloro-N-(6-fluoro-3-pyridinyl)pyridine-4-carboxamide
CID 114089633
5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 114089582

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one?
The IUPAC name of 1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one (CID 118065331) is 1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one is CC(C)C(=O)c1cc(Cl)ncc1N.
What is the InChIKey of 1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one?
The InChIKey is ZXVYBACNNFAACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-5(2)9(13)6-3-8(10)12-4-7(6)11/h3-5H,11H2,1-2H3.
What are the key properties of 1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one?
1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one has a molecular weight of 198.65 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one is sourced from PubChem (CID 118065331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).