2-chloro-7H-purine;hydrobromide

C5H4BrClN4 — CID 172776309

IUPAC2-chloro-7H-purine;hydrobromide
SMILESBr.Clc1ncc2[nH]cnc2n1
InChIInChI=1S/C5H3ClN4.BrH/c6-5-7-1-3-4(10-5)9-2-8-3;/h1-2H,(H,7,8,9,10);1H
InChIKeyNQIFRIWPINVUFW-UHFFFAOYSA-N
MW235.47 g/mol
LogP1.58
Rot. Bonds

About 2-chloro-7H-purine;hydrobromide

2-chloro-7H-purine;hydrobromide (PubChem CID 172776309) has the molecular formula C5H4BrClN4 and a molecular weight of 235.47 g/mol. Its IUPAC name is 2-chloro-7H-purine;hydrobromide.

Molecular Properties

Compound Name2-chloro-7H-purine;hydrobromide
PubChem CID172776309
Molecular FormulaC5H4BrClN4
Molecular Weight235.47 g/mol
Exact Mass233.93
IUPAC Name2-chloro-7H-purine;hydrobromide
SMILESBr.Clc1ncc2[nH]cnc2n1
InChIInChI=1S/C5H3ClN4.BrH/c6-5-7-1-3-4(10-5)9-2-8-3;/h1-2H,(H,7,8,9,10);1H
InChIKeyNQIFRIWPINVUFW-UHFFFAOYSA-N
XLogP1.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.47
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-7H-purin-6-amine;2-chloro-7H-purin-8-amine
CID 159573001
7H-purine-2-carbonitrile;hydrochloride
CID 162321507
7H-purine-2-carboxylic acid;hydrochloride
CID 162322232
7H-purine-2-sulfonamide
CID 3276405
1,1-dichloro-1-(7H-purin-2-yl)propane-2,2-diol
CID 70391878
2-propyl-7H-purine;hydrochloride
CID 18353371
2-ethylselanyl-7H-purine
CID 87266635
N,N-diethyl-7H-purin-2-amine
CID 22916630
2-(trifluoromethoxy)-7H-purine
CID 86115012
6-bromo-5-chloro-1H-imidazo[4,5-b]pyridine
CID 12782385
2-propylsulfinyl-7H-purine
CID 172749553
2,6-dichloro-7H-purine
CID 10750289

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7H-purine;hydrobromide?
The IUPAC name of 2-chloro-7H-purine;hydrobromide (CID 172776309) is 2-chloro-7H-purine;hydrobromide.
What is the SMILES notation for 2-chloro-7H-purine;hydrobromide?
The canonical SMILES for 2-chloro-7H-purine;hydrobromide is Br.Clc1ncc2[nH]cnc2n1.
What is the InChIKey of 2-chloro-7H-purine;hydrobromide?
The InChIKey is NQIFRIWPINVUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4.BrH/c6-5-7-1-3-4(10-5)9-2-8-3;/h1-2H,(H,7,8,9,10);1H.
What are the key properties of 2-chloro-7H-purine;hydrobromide?
2-chloro-7H-purine;hydrobromide has a molecular weight of 235.47 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7H-purine;hydrobromide is sourced from PubChem (CID 172776309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).