5-chloro-6-isocyanopyridine-3-carbaldehyde

C7H3ClN2O — CID 58001744

IUPAC5-chloro-6-isocyanopyridine-3-carbaldehyde
SMILES[C-]#[N+]c1ncc(C=O)cc1Cl
InChIInChI=1S/C7H3ClN2O/c1-9-7-6(8)2-5(4-11)3-10-7/h2-4H
InChIKeyRTMDBCIBTVRSMP-UHFFFAOYSA-N
MW166.57 g/mol
LogP2.10
Rot. Bonds1

About 5-chloro-6-isocyanopyridine-3-carbaldehyde

5-chloro-6-isocyanopyridine-3-carbaldehyde (PubChem CID 58001744) has the molecular formula C7H3ClN2O and a molecular weight of 166.57 g/mol. Its IUPAC name is 5-chloro-6-isocyanopyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-6-isocyanopyridine-3-carbaldehyde
PubChem CID58001744
Molecular FormulaC7H3ClN2O
Molecular Weight166.57 g/mol
Exact Mass165.99
IUPAC Name5-chloro-6-isocyanopyridine-3-carbaldehyde
SMILES[C-]#[N+]c1ncc(C=O)cc1Cl
InChIInChI=1S/C7H3ClN2O/c1-9-7-6(8)2-5(4-11)3-10-7/h2-4H
InChIKeyRTMDBCIBTVRSMP-UHFFFAOYSA-N
XLogP2.10
TPSA34.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.57
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloropyridine-3-carbaldehyde
CID 11535654
6,8-dichloroquinoline-3-carbaldehyde
CID 131507049
5-chloro-6-(3,4,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134636021
5-chloro-6-cyclohexyloxypyridine-3-carbaldehyde
CID 131539537
5-chloro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637324
6-chloro-5-(3,5-dichlorophenyl)pyridine-3-carbaldehyde
CID 133088126
6-chloro-5-ethenylpyridine-3-carbaldehyde
CID 89205442
5-fluoro-6-(2,3,5-trichlorophenyl)pyridine-3-carbaldehyde
CID 134637533
3-chloro-4,5-dihydroxybenzaldehyde
CID 2468182
7-chloro-6-(trifluoromethyl)quinoline-3-carbaldehyde
CID 122503518
5-chloro-6-(2-phenoxyethylamino)pyridine-3-carbaldehyde
CID 59242463
5-(2,3-dichlorophenyl)-6-fluoropyridine-3-carbaldehyde
CID 133090767

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-isocyanopyridine-3-carbaldehyde?
The IUPAC name of 5-chloro-6-isocyanopyridine-3-carbaldehyde (CID 58001744) is 5-chloro-6-isocyanopyridine-3-carbaldehyde.
What is the SMILES notation for 5-chloro-6-isocyanopyridine-3-carbaldehyde?
The canonical SMILES for 5-chloro-6-isocyanopyridine-3-carbaldehyde is [C-]#[N+]c1ncc(C=O)cc1Cl.
What is the InChIKey of 5-chloro-6-isocyanopyridine-3-carbaldehyde?
The InChIKey is RTMDBCIBTVRSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2O/c1-9-7-6(8)2-5(4-11)3-10-7/h2-4H.
What are the key properties of 5-chloro-6-isocyanopyridine-3-carbaldehyde?
5-chloro-6-isocyanopyridine-3-carbaldehyde has a molecular weight of 166.57 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-isocyanopyridine-3-carbaldehyde is sourced from PubChem (CID 58001744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).