6-chloropyridin-2-amine;5-fluoro-2-methoxypyridine-3-carbaldehyde

C12H11ClFN3O2 — CID 161377615

IUPAC6-chloropyridin-2-amine;5-fluoro-2-methoxypyridine-3-carbaldehyde
SMILESCOc1ncc(F)cc1C=O.Nc1cccc(Cl)n1
InChIInChI=1S/C7H6FNO2.C5H5ClN2/c1-11-7-5(4-10)2-6(8)3-9-7;6-4-2-1-3-5(7)8-4/h2-4H,1H3;1-3H,(H2,7,8)
InChIKeyVRGZNIJLKAMFBV-UHFFFAOYSA-N
MW283.69 g/mol
LogP2.36
Rot. Bonds2

About 6-chloropyridin-2-amine;5-fluoro-2-methoxypyridine-3-carbaldehyde

6-chloropyridin-2-amine;5-fluoro-2-methoxypyridine-3-carbaldehyde (PubChem CID 161377615) has the molecular formula C12H11ClFN3O2 and a molecular weight of 283.69 g/mol. Its IUPAC name is 6-chloropyridin-2-amine;5-fluoro-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-chloropyridin-2-amine;5-fluoro-2-methoxypyridine-3-carbaldehyde
PubChem CID161377615
Molecular FormulaC12H11ClFN3O2
Molecular Weight283.69 g/mol
Exact Mass283.05
IUPAC Name6-chloropyridin-2-amine;5-fluoro-2-methoxypyridine-3-carbaldehyde
SMILESCOc1ncc(F)cc1C=O.Nc1cccc(Cl)n1
InChIInChI=1S/C7H6FNO2.C5H5ClN2/c1-11-7-5(4-10)2-6(8)3-9-7;6-4-2-1-3-5(7)8-4/h2-4H,1H3;1-3H,(H2,7,8)
InChIKeyVRGZNIJLKAMFBV-UHFFFAOYSA-N
XLogP2.36
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloropyridin-2-amine;5-fluoro-2-methoxypyridine-3-carbaldehyde?
The IUPAC name of 6-chloropyridin-2-amine;5-fluoro-2-methoxypyridine-3-carbaldehyde (CID 161377615) is 6-chloropyridin-2-amine;5-fluoro-2-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 6-chloropyridin-2-amine;5-fluoro-2-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 6-chloropyridin-2-amine;5-fluoro-2-methoxypyridine-3-carbaldehyde is COc1ncc(F)cc1C=O.Nc1cccc(Cl)n1.
What is the InChIKey of 6-chloropyridin-2-amine;5-fluoro-2-methoxypyridine-3-carbaldehyde?
The InChIKey is VRGZNIJLKAMFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO2.C5H5ClN2/c1-11-7-5(4-10)2-6(8)3-9-7;6-4-2-1-3-5(7)8-4/h2-4H,1H3;1-3H,(H2,7,8).
What are the key properties of 6-chloropyridin-2-amine;5-fluoro-2-methoxypyridine-3-carbaldehyde?
6-chloropyridin-2-amine;5-fluoro-2-methoxypyridine-3-carbaldehyde has a molecular weight of 283.69 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyridin-2-amine;5-fluoro-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 161377615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).