(2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone

C10H10Cl2N2O — CID 114917004

IUPAC(2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(Cl)ncc1Cl)N1CCCC1
InChIInChI=1S/C10H10Cl2N2O/c11-8-6-13-9(12)5-7(8)10(15)14-3-1-2-4-14/h5-6H,1-4H2
InChIKeyRLPTWCKHQBIGKX-UHFFFAOYSA-N
MW245.11 g/mol
LogP2.62
Rot. Bonds1

About (2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone

(2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone (PubChem CID 114917004) has the molecular formula C10H10Cl2N2O and a molecular weight of 245.11 g/mol. Its IUPAC name is (2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
PubChem CID114917004
Molecular FormulaC10H10Cl2N2O
Molecular Weight245.11 g/mol
Exact Mass244.02
IUPAC Name(2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(Cl)ncc1Cl)N1CCCC1
InChIInChI=1S/C10H10Cl2N2O/c11-8-6-13-9(12)5-7(8)10(15)14-3-1-2-4-14/h5-6H,1-4H2
InChIKeyRLPTWCKHQBIGKX-UHFFFAOYSA-N
XLogP2.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 52.62
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

(2,5-dichloro-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 114918455
(2,5-dichloro-4-pyridinyl)-(4-fluoropiperidin-1-yl)methanone
CID 172648288
(2,5-dichloro-4-pyridinyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114918451
(2,5-dichloro-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668644
(2,5-dichloro-4-pyridinyl)-(oxazinan-2-yl)methanone
CID 114918819
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2,5-dichloro-4-pyridinyl)methanone
CID 114918468
azocan-1-yl-(2-chloro-5-nitro-4-pyridinyl)methanone
CID 103732324
4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 114918581
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2,5-dichloro-4-pyridinyl)methanone
CID 114917996
(2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172648286
(2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 875976
(2,5-dichloro-4-pyridinyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 114918674

Frequently Asked Questions

What is the IUPAC name of (2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone (CID 114917004) is (2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone is O=C(c1cc(Cl)ncc1Cl)N1CCCC1.
What is the InChIKey of (2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone?
The InChIKey is RLPTWCKHQBIGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O/c11-8-6-13-9(12)5-7(8)10(15)14-3-1-2-4-14/h5-6H,1-4H2.
What are the key properties of (2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone?
(2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone has a molecular weight of 245.11 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichloro-4-pyridinyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 114917004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).