cyclopropyl-(3,5-dichloro-2-pyridinyl)methanone

C9H7Cl2NO — CID 79786695

IUPACcyclopropyl-(3,5-dichloro-2-pyridinyl)methanone
SMILESO=C(c1ncc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C9H7Cl2NO/c10-6-3-7(11)8(12-4-6)9(13)5-1-2-5/h3-5H,1-2H2
InChIKeyWQFQQFPNJWEDNQ-UHFFFAOYSA-N
MW216.07 g/mol
LogP2.98
Rot. Bonds2

About cyclopropyl-(3,5-dichloro-2-pyridinyl)methanone

cyclopropyl-(3,5-dichloro-2-pyridinyl)methanone (PubChem CID 79786695) has the molecular formula C9H7Cl2NO and a molecular weight of 216.07 g/mol. Its IUPAC name is cyclopropyl-(3,5-dichloro-2-pyridinyl)methanone.

Molecular Properties

Compound Namecyclopropyl-(3,5-dichloro-2-pyridinyl)methanone
PubChem CID79786695
Molecular FormulaC9H7Cl2NO
Molecular Weight216.07 g/mol
Exact Mass214.99
IUPAC Namecyclopropyl-(3,5-dichloro-2-pyridinyl)methanone
SMILESO=C(c1ncc(Cl)cc1Cl)C1CC1
InChIInChI=1S/C9H7Cl2NO/c10-6-3-7(11)8(12-4-6)9(13)5-1-2-5/h3-5H,1-2H2
InChIKeyWQFQQFPNJWEDNQ-UHFFFAOYSA-N
XLogP2.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dichloro-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79909721
1-(3,5-dichloro-2-pyridinyl)-2-(oxan-4-yl)ethanone
CID 79785846
(4-cyclopropyloxyphenyl)-(3,5-dichloro-2-pyridinyl)methanone
CID 114518915
(3-chloropyrazin-2-yl)-cyclopropylmethanone
CID 175943753
1-(3,5-dichloro-2-pyridinyl)pent-4-yn-1-one
CID 79786948
4-(3,5-dichloro-2-pyridinyl)-4-oxobutanoic acid
CID 79780666
1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione
CID 165000552
(3,5-dichloro-2-pyridinyl)-(2,3-dihydrofuran-4-yl)methanone
CID 130579287
4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674391
cyclopropyl-(3,4-dichlorophenyl)methanone
CID 19806646
(3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 155955172
5-chloro-3-cyclohexylpyridine-2-carboxylic acid
CID 84727953

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3,5-dichloro-2-pyridinyl)methanone?
The IUPAC name of cyclopropyl-(3,5-dichloro-2-pyridinyl)methanone (CID 79786695) is cyclopropyl-(3,5-dichloro-2-pyridinyl)methanone.
What is the SMILES notation for cyclopropyl-(3,5-dichloro-2-pyridinyl)methanone?
The canonical SMILES for cyclopropyl-(3,5-dichloro-2-pyridinyl)methanone is O=C(c1ncc(Cl)cc1Cl)C1CC1.
What is the InChIKey of cyclopropyl-(3,5-dichloro-2-pyridinyl)methanone?
The InChIKey is WQFQQFPNJWEDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO/c10-6-3-7(11)8(12-4-6)9(13)5-1-2-5/h3-5H,1-2H2.
What are the key properties of cyclopropyl-(3,5-dichloro-2-pyridinyl)methanone?
cyclopropyl-(3,5-dichloro-2-pyridinyl)methanone has a molecular weight of 216.07 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3,5-dichloro-2-pyridinyl)methanone is sourced from PubChem (CID 79786695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).