2-chloro-7H-cyclopenta[d]pyrimidine

C7H5ClN2 — CID 58170458

IUPAC2-chloro-7H-cyclopenta[d]pyrimidine
SMILESClc1ncc2c(n1)CC=C2
InChIInChI=1S/C7H5ClN2/c8-7-9-4-5-2-1-3-6(5)10-7/h1-2,4H,3H2
InChIKeyHQJKSRKKBFFEPQ-UHFFFAOYSA-N
MW152.58 g/mol
LogP1.70
Rot. Bonds

About 2-chloro-7H-cyclopenta[d]pyrimidine

2-chloro-7H-cyclopenta[d]pyrimidine (PubChem CID 58170458) has the molecular formula C7H5ClN2 and a molecular weight of 152.58 g/mol. Its IUPAC name is 2-chloro-7H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-chloro-7H-cyclopenta[d]pyrimidine
PubChem CID58170458
Molecular FormulaC7H5ClN2
Molecular Weight152.58 g/mol
Exact Mass152.01
IUPAC Name2-chloro-7H-cyclopenta[d]pyrimidine
SMILESClc1ncc2c(n1)CC=C2
InChIInChI=1S/C7H5ClN2/c8-7-9-4-5-2-1-3-6(5)10-7/h1-2,4H,3H2
InChIKeyHQJKSRKKBFFEPQ-UHFFFAOYSA-N
XLogP1.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-chloro-7H-cyclopenta[d]pyrimidine (CID 58170458) is 2-chloro-7H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-chloro-7H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-chloro-7H-cyclopenta[d]pyrimidine is Clc1ncc2c(n1)CC=C2.
What is the InChIKey of 2-chloro-7H-cyclopenta[d]pyrimidine?
The InChIKey is HQJKSRKKBFFEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2/c8-7-9-4-5-2-1-3-6(5)10-7/h1-2,4H,3H2.
What are the key properties of 2-chloro-7H-cyclopenta[d]pyrimidine?
2-chloro-7H-cyclopenta[d]pyrimidine has a molecular weight of 152.58 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 58170458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).