(6-chloro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone

C11H13ClN2O — CID 90695211

IUPAC(6-chloro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)c2ccc(Cl)nc2)CCCN1
InChIInChI=1S/C11H13ClN2O/c1-11(5-2-6-14-11)10(15)8-3-4-9(12)13-7-8/h3-4,7,14H,2,5-6H2,1H3
InChIKeyYIEVGLCSDABOAO-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.06
Rot. Bonds2

About (6-chloro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone

(6-chloro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone (PubChem CID 90695211) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone
PubChem CID90695211
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(6-chloro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)c2ccc(Cl)nc2)CCCN1
InChIInChI=1S/C11H13ClN2O/c1-11(5-2-6-14-11)10(15)8-3-4-9(12)13-7-8/h3-4,7,14H,2,5-6H2,1H3
InChIKeyYIEVGLCSDABOAO-UHFFFAOYSA-N
XLogP2.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.06
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

(4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116614044
(3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580557
(6-chloro-3-pyridinyl)-(1-fluorocyclohexyl)methanone
CID 170152064
(5-fluoro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580596
(3-ethoxyphenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580623
(2-methylpyrrolidin-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 116580532
(4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone
CID 114671308
(6-chloro-3-pyridinyl)-(3,3-dimethylazetidin-1-yl)methanone
CID 131069080
methyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate
CID 117062757
6-chloropyridine-3-carboxamide;dihydrochloride
CID 87764201
2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760527
(4-bromo-3-chloro-2-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 106764011

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone (CID 90695211) is (6-chloro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone is CC1(C(=O)c2ccc(Cl)nc2)CCCN1.
What is the InChIKey of (6-chloro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone?
The InChIKey is YIEVGLCSDABOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-11(5-2-6-14-11)10(15)8-3-4-9(12)13-7-8/h3-4,7,14H,2,5-6H2,1H3.
What are the key properties of (6-chloro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone?
(6-chloro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone has a molecular weight of 224.69 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-(2-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 90695211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).