1-(3-bromo-6-chloro-2-pyridinyl)azetidine-3-carbonitrile

C9H7BrClN3 — CID 170420302

IUPAC1-(3-bromo-6-chloro-2-pyridinyl)azetidine-3-carbonitrile
SMILESN#CC1CN(c2nc(Cl)ccc2Br)C1
InChIInChI=1S/C9H7BrClN3/c10-7-1-2-8(11)13-9(7)14-4-6(3-12)5-14/h1-2,6H,4-5H2
InChIKeyJJUOEVXTFBYVLL-UHFFFAOYSA-N
MW272.53 g/mol
LogP2.46
Rot. Bonds1

About 1-(3-bromo-6-chloro-2-pyridinyl)azetidine-3-carbonitrile

1-(3-bromo-6-chloro-2-pyridinyl)azetidine-3-carbonitrile (PubChem CID 170420302) has the molecular formula C9H7BrClN3 and a molecular weight of 272.53 g/mol. Its IUPAC name is 1-(3-bromo-6-chloro-2-pyridinyl)azetidine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-bromo-6-chloro-2-pyridinyl)azetidine-3-carbonitrile
PubChem CID170420302
Molecular FormulaC9H7BrClN3
Molecular Weight272.53 g/mol
Exact Mass270.95
IUPAC Name1-(3-bromo-6-chloro-2-pyridinyl)azetidine-3-carbonitrile
SMILESN#CC1CN(c2nc(Cl)ccc2Br)C1
InChIInChI=1S/C9H7BrClN3/c10-7-1-2-8(11)13-9(7)14-4-6(3-12)5-14/h1-2,6H,4-5H2
InChIKeyJJUOEVXTFBYVLL-UHFFFAOYSA-N
XLogP2.46
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.53
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]azetidine-3-carbonitrile
CID 169118770
1-(3,6-dichloro-2-pyridinyl)azetidin-3-ol
CID 130682729
(2S,6R)-4-(6-chloro-3-fluoro-2-pyridinyl)-2,6-dimethylmorpholine
CID 170774991
1-[6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]azetidine-3-carbonitrile
CID 174170847
1-(4-chlorophenyl)pyrrolidine-3-carbonitrile
CID 67357061
1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carbonitrile
CID 121006077
1-(4-methyl-3-oxopyrazin-2-yl)azetidine-3-carbonitrile
CID 119103522
3-bromo-6-chloro-2-methylpyridine
CID 14866674
6-chloro-2-(3,4-dimethylpyrrolidin-1-yl)-3-nitropyridine
CID 79180812
1-(4-chlorophenyl)piperidine-3-carbonitrile
CID 117008082
1-[6-(4-chloroanilino)-2-methylsulfonyl-5-nitropyrimidin-4-yl]azetidine-3-carbonitrile
CID 171532478
6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 63376481

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-6-chloro-2-pyridinyl)azetidine-3-carbonitrile?
The IUPAC name of 1-(3-bromo-6-chloro-2-pyridinyl)azetidine-3-carbonitrile (CID 170420302) is 1-(3-bromo-6-chloro-2-pyridinyl)azetidine-3-carbonitrile.
What is the SMILES notation for 1-(3-bromo-6-chloro-2-pyridinyl)azetidine-3-carbonitrile?
The canonical SMILES for 1-(3-bromo-6-chloro-2-pyridinyl)azetidine-3-carbonitrile is N#CC1CN(c2nc(Cl)ccc2Br)C1.
What is the InChIKey of 1-(3-bromo-6-chloro-2-pyridinyl)azetidine-3-carbonitrile?
The InChIKey is JJUOEVXTFBYVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3/c10-7-1-2-8(11)13-9(7)14-4-6(3-12)5-14/h1-2,6H,4-5H2.
What are the key properties of 1-(3-bromo-6-chloro-2-pyridinyl)azetidine-3-carbonitrile?
1-(3-bromo-6-chloro-2-pyridinyl)azetidine-3-carbonitrile has a molecular weight of 272.53 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-6-chloro-2-pyridinyl)azetidine-3-carbonitrile is sourced from PubChem (CID 170420302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).