2-chloro-N-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]acetamide

C9H10ClFN2O — CID 167829999

IUPAC2-chloro-N-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CCl)c1cccnc1F
InChIInChI=1S/C9H10ClFN2O/c1-6(13-8(14)5-10)7-3-2-4-12-9(7)11/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m0/s1
InChIKeyBJLFIRBNHQJXAZ-LURJTMIESA-N
MW216.64 g/mol
LogP1.64
Rot. Bonds3

About 2-chloro-N-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]acetamide

2-chloro-N-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]acetamide (PubChem CID 167829999) has the molecular formula C9H10ClFN2O and a molecular weight of 216.64 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]acetamide
PubChem CID167829999
Molecular FormulaC9H10ClFN2O
Molecular Weight216.64 g/mol
Exact Mass216.05
IUPAC Name2-chloro-N-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CCl)c1cccnc1F
InChIInChI=1S/C9H10ClFN2O/c1-6(13-8(14)5-10)7-3-2-4-12-9(7)11/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m0/s1
InChIKeyBJLFIRBNHQJXAZ-LURJTMIESA-N
XLogP1.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
CID 166408408
2-chloro-N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 167751096
2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
CID 43701714
2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 43701037
(3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid
CID 55293106
N-[1-(2-iodo-3-pyridinyl)ethyl]acetamide
CID 87649733
2-chloro-N-[1-(2-methylpyrimidin-4-yl)ethyl]acetamide
CID 146094635
methyl (2R)-2-amino-2-(2-fluoro-3-pyridinyl)acetate;hydrochloride
CID 171222945
(1S)-1-(2-fluoro-3-pyridinyl)propan-1-ol
CID 130786152
2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 107358475
2-chloro-N-[(1S)-1-(4-hydroxyphenyl)ethyl]acetamide
CID 141483840

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]acetamide (CID 167829999) is 2-chloro-N-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]acetamide is C[C@H](NC(=O)CCl)c1cccnc1F.
What is the InChIKey of 2-chloro-N-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]acetamide?
The InChIKey is BJLFIRBNHQJXAZ-LURJTMIESA-N. The full InChI is InChI=1S/C9H10ClFN2O/c1-6(13-8(14)5-10)7-3-2-4-12-9(7)11/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]acetamide?
2-chloro-N-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]acetamide has a molecular weight of 216.64 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 167829999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).