5-chloro-6-(2-phenoxyethylamino)pyridine-3-carbaldehyde

C14H13ClN2O2 — CID 59242463

IUPAC5-chloro-6-(2-phenoxyethylamino)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(NCCOc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c15-13-8-11(10-18)9-17-14(13)16-6-7-19-12-4-2-1-3-5-12/h1-5,8-10H,6-7H2,(H,16,17)
InChIKeyCVMLNFASIIHIOP-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.04
Rot. Bonds6

About 5-chloro-6-(2-phenoxyethylamino)pyridine-3-carbaldehyde

5-chloro-6-(2-phenoxyethylamino)pyridine-3-carbaldehyde (PubChem CID 59242463) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 5-chloro-6-(2-phenoxyethylamino)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-6-(2-phenoxyethylamino)pyridine-3-carbaldehyde
PubChem CID59242463
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name5-chloro-6-(2-phenoxyethylamino)pyridine-3-carbaldehyde
SMILESO=Cc1cnc(NCCOc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c15-13-8-11(10-18)9-17-14(13)16-6-7-19-12-4-2-1-3-5-12/h1-5,8-10H,6-7H2,(H,16,17)
InChIKeyCVMLNFASIIHIOP-UHFFFAOYSA-N
XLogP3.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-6-hydrazinyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 102761875
[5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270733
N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine
CID 103582766
5-methyl-6-(2-phenoxyethoxy)pyridine-3-carbaldehyde
CID 80631732
3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 105366850
(E)-3-[5-chloro-6-(2-methoxyethylamino)-3-pyridinyl]prop-2-enoic acid
CID 59242484
4-bromo-2,6-dichloro-N-(2-phenoxyethyl)aniline
CID 63487856
3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine
CID 113413693
6-chloro-4,5-dimethyl-N-(2-phenoxyethyl)pyridazin-3-amine
CID 63271688
6-chloro-2-(2-phenoxyethylamino)pyridine-3-carboxylic acid
CID 63380096
3-chloro-4-fluoro-N-(2-phenoxyethyl)aniline
CID 39365277
5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796104

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-phenoxyethylamino)pyridine-3-carbaldehyde?
The IUPAC name of 5-chloro-6-(2-phenoxyethylamino)pyridine-3-carbaldehyde (CID 59242463) is 5-chloro-6-(2-phenoxyethylamino)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-chloro-6-(2-phenoxyethylamino)pyridine-3-carbaldehyde?
The canonical SMILES for 5-chloro-6-(2-phenoxyethylamino)pyridine-3-carbaldehyde is O=Cc1cnc(NCCOc2ccccc2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(2-phenoxyethylamino)pyridine-3-carbaldehyde?
The InChIKey is CVMLNFASIIHIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-13-8-11(10-18)9-17-14(13)16-6-7-19-12-4-2-1-3-5-12/h1-5,8-10H,6-7H2,(H,16,17).
What are the key properties of 5-chloro-6-(2-phenoxyethylamino)pyridine-3-carbaldehyde?
5-chloro-6-(2-phenoxyethylamino)pyridine-3-carbaldehyde has a molecular weight of 276.72 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-phenoxyethylamino)pyridine-3-carbaldehyde is sourced from PubChem (CID 59242463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).