(2S)-2-chloro-1-(4-methyl-2-pyridinyl)propan-1-one

C9H10ClNO — CID 93494177

IUPAC(2S)-2-chloro-1-(4-methyl-2-pyridinyl)propan-1-one
SMILESCc1ccnc(C(=O)[C@H](C)Cl)c1
InChIInChI=1S/C9H10ClNO/c1-6-3-4-11-8(5-6)9(12)7(2)10/h3-5,7H,1-2H3/t7-/m0/s1
InChIKeyZWPZNSYBOSOQDL-ZETCQYMHSA-N
MW183.64 g/mol
LogP2.20
Rot. Bonds2

About (2S)-2-chloro-1-(4-methyl-2-pyridinyl)propan-1-one

(2S)-2-chloro-1-(4-methyl-2-pyridinyl)propan-1-one (PubChem CID 93494177) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is (2S)-2-chloro-1-(4-methyl-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-chloro-1-(4-methyl-2-pyridinyl)propan-1-one
PubChem CID93494177
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name(2S)-2-chloro-1-(4-methyl-2-pyridinyl)propan-1-one
SMILESCc1ccnc(C(=O)[C@H](C)Cl)c1
InChIInChI=1S/C9H10ClNO/c1-6-3-4-11-8(5-6)9(12)7(2)10/h3-5,7H,1-2H3/t7-/m0/s1
InChIKeyZWPZNSYBOSOQDL-ZETCQYMHSA-N
XLogP2.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(4-methyl-2-pyridinyl)propan-1-one
CID 71428246
tert-butyl 2-methyl-3-(4-methyl-2-pyridinyl)-3-oxopropanoate
CID 66337615
methyl 4-methylpyridine-2-carboxylate
CID 10920693
4-methyl-N'-propan-2-ylpyridine-2-carboximidamide
CID 63839801
4-methyl-N-sulfanylpyridine-2-carboxamide
CID 91479980
N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide
CID 110858652
3,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-1-one
CID 55265069
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methyl-2-pyridinyl)methanone
CID 114640157
3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid
CID 110836400
2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840220
N-(3,4-dimethylphenyl)-4-methylpyridine-2-carboxamide
CID 110857354
(3-chloro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanone
CID 107559829

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-1-(4-methyl-2-pyridinyl)propan-1-one?
The IUPAC name of (2S)-2-chloro-1-(4-methyl-2-pyridinyl)propan-1-one (CID 93494177) is (2S)-2-chloro-1-(4-methyl-2-pyridinyl)propan-1-one.
What is the SMILES notation for (2S)-2-chloro-1-(4-methyl-2-pyridinyl)propan-1-one?
The canonical SMILES for (2S)-2-chloro-1-(4-methyl-2-pyridinyl)propan-1-one is Cc1ccnc(C(=O)[C@H](C)Cl)c1.
What is the InChIKey of (2S)-2-chloro-1-(4-methyl-2-pyridinyl)propan-1-one?
The InChIKey is ZWPZNSYBOSOQDL-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6-3-4-11-8(5-6)9(12)7(2)10/h3-5,7H,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-chloro-1-(4-methyl-2-pyridinyl)propan-1-one?
(2S)-2-chloro-1-(4-methyl-2-pyridinyl)propan-1-one has a molecular weight of 183.64 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-1-(4-methyl-2-pyridinyl)propan-1-one is sourced from PubChem (CID 93494177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).