4-chloro-7H-pyrrolo[2,3-d]pyrimidine

C6H4ClN3 — CID 5356682

IUPAC4-chloro-7H-pyrrolo[2,3-d]pyrimidine
SMILESClc1ncnc2[nH]ccc12
InChIInChI=1S/C6H4ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)
InChIKeyBPTCCCTWWAUJRK-UHFFFAOYSA-N
MW153.57 g/mol
LogP1.61
Rot. Bonds

About 4-chloro-7H-pyrrolo[2,3-d]pyrimidine

4-chloro-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 5356682) has the molecular formula C6H4ClN3 and a molecular weight of 153.57 g/mol. Its IUPAC name is 4-chloro-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID5356682
Molecular FormulaC6H4ClN3
Molecular Weight153.57 g/mol
Exact Mass153.01
IUPAC Name4-chloro-7H-pyrrolo[2,3-d]pyrimidine
SMILESClc1ncnc2[nH]ccc12
InChIInChI=1S/C6H4ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)
InChIKeyBPTCCCTWWAUJRK-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.57
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine (CID 5356682) is 4-chloro-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine is Clc1ncnc2[nH]ccc12.
What is the InChIKey of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is BPTCCCTWWAUJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10).
What are the key properties of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine?
4-chloro-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 153.57 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 5356682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).