3-amino-5-chloro-2-methylpyridine-4-carbaldehyde

C7H7ClN2O — CID 118192433

IUPAC3-amino-5-chloro-2-methylpyridine-4-carbaldehyde
SMILESCc1ncc(Cl)c(C=O)c1N
InChIInChI=1S/C7H7ClN2O/c1-4-7(9)5(3-11)6(8)2-10-4/h2-3H,9H2,1H3
InChIKeyPILGGUZWIDCBFU-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.44
Rot. Bonds1

About 3-amino-5-chloro-2-methylpyridine-4-carbaldehyde

3-amino-5-chloro-2-methylpyridine-4-carbaldehyde (PubChem CID 118192433) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 3-amino-5-chloro-2-methylpyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-amino-5-chloro-2-methylpyridine-4-carbaldehyde
PubChem CID118192433
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name3-amino-5-chloro-2-methylpyridine-4-carbaldehyde
SMILESCc1ncc(Cl)c(C=O)c1N
InChIInChI=1S/C7H7ClN2O/c1-4-7(9)5(3-11)6(8)2-10-4/h2-3H,9H2,1H3
InChIKeyPILGGUZWIDCBFU-UHFFFAOYSA-N
XLogP1.44
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-methylpyridine-4-carbaldehyde?
The IUPAC name of 3-amino-5-chloro-2-methylpyridine-4-carbaldehyde (CID 118192433) is 3-amino-5-chloro-2-methylpyridine-4-carbaldehyde.
What is the SMILES notation for 3-amino-5-chloro-2-methylpyridine-4-carbaldehyde?
The canonical SMILES for 3-amino-5-chloro-2-methylpyridine-4-carbaldehyde is Cc1ncc(Cl)c(C=O)c1N.
What is the InChIKey of 3-amino-5-chloro-2-methylpyridine-4-carbaldehyde?
The InChIKey is PILGGUZWIDCBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c1-4-7(9)5(3-11)6(8)2-10-4/h2-3H,9H2,1H3.
What are the key properties of 3-amino-5-chloro-2-methylpyridine-4-carbaldehyde?
3-amino-5-chloro-2-methylpyridine-4-carbaldehyde has a molecular weight of 170.60 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-methylpyridine-4-carbaldehyde is sourced from PubChem (CID 118192433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).