(2R)-2-(2-chloro-1H-pyridin-2-yl)propanamide

C8H11ClN2O — CID 150457306

IUPAC(2R)-2-(2-chloro-1H-pyridin-2-yl)propanamide
SMILESC[C@H](C(N)=O)C1(Cl)C=CC=CN1
InChIInChI=1S/C8H11ClN2O/c1-6(7(10)12)8(9)4-2-3-5-11-8/h2-6,11H,1H3,(H2,10,12)/t6-,8?/m1/s1
InChIKeyHPAYQZAEUGQVCD-XPJFZRNWSA-N
MW186.64 g/mol
LogP0.72
Rot. Bonds2

About (2R)-2-(2-chloro-1H-pyridin-2-yl)propanamide

(2R)-2-(2-chloro-1H-pyridin-2-yl)propanamide (PubChem CID 150457306) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is (2R)-2-(2-chloro-1H-pyridin-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chloro-1H-pyridin-2-yl)propanamide
PubChem CID150457306
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name(2R)-2-(2-chloro-1H-pyridin-2-yl)propanamide
SMILESC[C@H](C(N)=O)C1(Cl)C=CC=CN1
InChIInChI=1S/C8H11ClN2O/c1-6(7(10)12)8(9)4-2-3-5-11-8/h2-6,11H,1H3,(H2,10,12)/t6-,8?/m1/s1
InChIKeyHPAYQZAEUGQVCD-XPJFZRNWSA-N
XLogP0.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-1H-pyridin-2-yl)propanamide?
The IUPAC name of (2R)-2-(2-chloro-1H-pyridin-2-yl)propanamide (CID 150457306) is (2R)-2-(2-chloro-1H-pyridin-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(2-chloro-1H-pyridin-2-yl)propanamide?
The canonical SMILES for (2R)-2-(2-chloro-1H-pyridin-2-yl)propanamide is C[C@H](C(N)=O)C1(Cl)C=CC=CN1.
What is the InChIKey of (2R)-2-(2-chloro-1H-pyridin-2-yl)propanamide?
The InChIKey is HPAYQZAEUGQVCD-XPJFZRNWSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-6(7(10)12)8(9)4-2-3-5-11-8/h2-6,11H,1H3,(H2,10,12)/t6-,8?/m1/s1.
What are the key properties of (2R)-2-(2-chloro-1H-pyridin-2-yl)propanamide?
(2R)-2-(2-chloro-1H-pyridin-2-yl)propanamide has a molecular weight of 186.64 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-1H-pyridin-2-yl)propanamide is sourced from PubChem (CID 150457306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).