(2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone

C10H7Cl2N3O — CID 54233902

IUPAC(2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C10H7Cl2N3O/c1-15-3-2-13-10(15)9(16)6-4-7(11)14-8(12)5-6/h2-5H,1H3
InChIKeyQLEMLAIVRVZZGL-UHFFFAOYSA-N
MW256.09 g/mol
LogP2.35
Rot. Bonds2

About (2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone

(2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone (PubChem CID 54233902) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is (2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone
PubChem CID54233902
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name(2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C10H7Cl2N3O/c1-15-3-2-13-10(15)9(16)6-4-7(11)14-8(12)5-6/h2-5H,1H3
InChIKeyQLEMLAIVRVZZGL-UHFFFAOYSA-N
XLogP2.35
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris(bis(1-methylimidazol-2-yl)methanone);iron(2+);dichloride;hexahydrate
CID 139059297
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CID 60660061
(1-methylimidazol-2-yl)-(6-methyl-3-pyridinyl)methanone
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(2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone
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(4-chloro-2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanone
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[2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone
CID 116601746
2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 61217931
(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone
CID 114641937
(1-methylimidazol-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 5303840
[3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone
CID 96662606
(3-fluoro-4-propan-2-yloxyphenyl)-(1-methylimidazol-2-yl)methanone
CID 82485496
2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 39951792

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone?
The IUPAC name of (2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone (CID 54233902) is (2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for (2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for (2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of (2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone?
The InChIKey is QLEMLAIVRVZZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c1-15-3-2-13-10(15)9(16)6-4-7(11)14-8(12)5-6/h2-5H,1H3.
What are the key properties of (2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone?
(2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone has a molecular weight of 256.09 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-pyridinyl)-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 54233902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).