(3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone

C12H14Cl2N2O — CID 43179258

IUPAC(3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2nc(Cl)ccc2Cl)C1
InChIInChI=1S/C12H14Cl2N2O/c1-8-3-2-6-16(7-8)12(17)11-9(13)4-5-10(14)15-11/h4-5,8H,2-3,6-7H2,1H3
InChIKeyNICUAMSBXGBEBF-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.26
Rot. Bonds1

About (3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone

(3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 43179258) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is (3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID43179258
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name(3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2nc(Cl)ccc2Cl)C1
InChIInChI=1S/C12H14Cl2N2O/c1-8-3-2-6-16(7-8)12(17)11-9(13)4-5-10(14)15-11/h4-5,8H,2-3,6-7H2,1H3
InChIKeyNICUAMSBXGBEBF-UHFFFAOYSA-N
XLogP3.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3,6-dichloro-2-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61051195
(3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103723510
(3,6-dichloro-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62941925
(3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103677851
(3,6-dichloro-2-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63633965
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
(3,6-dichloro-2-pyridinyl)-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone
CID 71993989
(3-methylpiperidin-1-yl)-(3-methylquinoxalin-2-yl)methanone
CID 110856129
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
(2,6-dichloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 113228669
(2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78776798
(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 18105294

Frequently Asked Questions

What is the IUPAC name of (3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone (CID 43179258) is (3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2nc(Cl)ccc2Cl)C1.
What is the InChIKey of (3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is NICUAMSBXGBEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-8-3-2-6-16(7-8)12(17)11-9(13)4-5-10(14)15-11/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of (3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone?
(3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 273.16 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 43179258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).