4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde

C8H6ClN3O — CID 82657503

IUPAC4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde
SMILESCn1cc(C=O)c2c(Cl)ncnc21
InChIInChI=1S/C8H6ClN3O/c1-12-2-5(3-13)6-7(9)10-4-11-8(6)12/h2-4H,1H3
InChIKeyCIEYPMRLILCTMZ-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.43
Rot. Bonds1

About 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde

4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde (PubChem CID 82657503) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde
PubChem CID82657503
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde
SMILESCn1cc(C=O)c2c(Cl)ncnc21
InChIInChI=1S/C8H6ClN3O/c1-12-2-5(3-13)6-7(9)10-4-11-8(6)12/h2-4H,1H3
InChIKeyCIEYPMRLILCTMZ-UHFFFAOYSA-N
XLogP1.43
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 510434
7H-Pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CID 19064035
4-Chloro-7H-pyrrolo(2,3-d)pyrimidine-5-carboxamide
CID 59361004
4-Chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CID 59442336
2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CID 118796249
4-Amino-7-(ethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 510429
4-Amino-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 510430
7-Allyl-4-amino-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 510435
4-Amino-7-propyl-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 510436
1-(2-Chloro-5-fluoropyrimidin-4-yl)-4-(trifluoromethyl)pyrrole-3-carbaldehyde
CID 121269203
1-(2-Chloro-5-fluoro-4-pyrimidinyl)-4-methyl-1H-pyrrole-3-carboxaldehyde
CID 121269306
4-Amino-6-chloro-7-(1-fluoro-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 126698443

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde (CID 82657503) is 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde is Cn1cc(C=O)c2c(Cl)ncnc21.
What is the InChIKey of 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
The InChIKey is CIEYPMRLILCTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c1-12-2-5(3-13)6-7(9)10-4-11-8(6)12/h2-4H,1H3.
What are the key properties of 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde?
4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde has a molecular weight of 195.61 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 82657503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).