4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde

C14H10ClN3O — CID 89112886

IUPAC4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde
SMILESCn1c(C=O)cc2c(Cl)nc(-c3ccccc3)nc21
InChIInChI=1S/C14H10ClN3O/c1-18-10(8-19)7-11-12(15)16-13(17-14(11)18)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyUTTIQZLMPKKQBT-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.10
Rot. Bonds2

About 4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde

4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde (PubChem CID 89112886) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde
PubChem CID89112886
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde
SMILESCn1c(C=O)cc2c(Cl)nc(-c3ccccc3)nc21
InChIInChI=1S/C14H10ClN3O/c1-18-10(8-19)7-11-12(15)16-13(17-14(11)18)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyUTTIQZLMPKKQBT-UHFFFAOYSA-N
XLogP3.10
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde?
The IUPAC name of 4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde (CID 89112886) is 4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde?
The canonical SMILES for 4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde is Cn1c(C=O)cc2c(Cl)nc(-c3ccccc3)nc21.
What is the InChIKey of 4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde?
The InChIKey is UTTIQZLMPKKQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c1-18-10(8-19)7-11-12(15)16-13(17-14(11)18)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde?
4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde has a molecular weight of 271.71 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 89112886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).