4-chloropurino[9,8-a]pyridine

C9H5ClN4 — CID 10703405

IUPAC4-chloropurino[9,8-a]pyridine
SMILESClc1ncnc2c1nc1ccccn12
InChIInChI=1S/C9H5ClN4/c10-8-7-9(12-5-11-8)14-4-2-1-3-6(14)13-7/h1-5H
InChIKeyCBFAGBJTTGKXRL-UHFFFAOYSA-N
MW204.62 g/mol
LogP1.93
Rot. Bonds

About 4-chloropurino[9,8-a]pyridine

4-chloropurino[9,8-a]pyridine (PubChem CID 10703405) has the molecular formula C9H5ClN4 and a molecular weight of 204.62 g/mol. Its IUPAC name is 4-chloropurino[9,8-a]pyridine.

Molecular Properties

Compound Name4-chloropurino[9,8-a]pyridine
PubChem CID10703405
Molecular FormulaC9H5ClN4
Molecular Weight204.62 g/mol
Exact Mass204.02
IUPAC Name4-chloropurino[9,8-a]pyridine
SMILESClc1ncnc2c1nc1ccccn12
InChIInChI=1S/C9H5ClN4/c10-8-7-9(12-5-11-8)14-4-2-1-3-6(14)13-7/h1-5H
InChIKeyCBFAGBJTTGKXRL-UHFFFAOYSA-N
XLogP1.93
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloropyrido[1,2-a]pyrimidin-4-one
CID 74890119
2-methylpurino[9,8-a]pyridin-4-amine
CID 10420296
2-(bromomethyl)-3-chloroimidazo[1,2-a]pyridine
CID 59589453
2-chloroimidazo[1,2-a]pyridine-3-sulfonamide
CID 14422354
1,4-dichloropyrido[2,1-b]quinazolin-11-imine
CID 18992433
11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene
CID 132570518
2-chloro-3-(3-chloroprop-1-enyl)imidazo[1,2-a]pyridine
CID 79334490
12-chloro-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10(15),11,13-heptaene;hydrochloride
CID 21142140
12-chloro-7-thia-2,9,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene
CID 132600937
4-chloro-7-phenylpyrrolo[2,3-d]pyrimidine
CID 101367074
N-(2-chlorophenyl)-6-phenylpyrido[1,2-a]benzimidazol-8-amine
CID 146300968
3-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
CID 140866988

Frequently Asked Questions

What is the IUPAC name of 4-chloropurino[9,8-a]pyridine?
The IUPAC name of 4-chloropurino[9,8-a]pyridine (CID 10703405) is 4-chloropurino[9,8-a]pyridine.
What is the SMILES notation for 4-chloropurino[9,8-a]pyridine?
The canonical SMILES for 4-chloropurino[9,8-a]pyridine is Clc1ncnc2c1nc1ccccn12.
What is the InChIKey of 4-chloropurino[9,8-a]pyridine?
The InChIKey is CBFAGBJTTGKXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN4/c10-8-7-9(12-5-11-8)14-4-2-1-3-6(14)13-7/h1-5H.
What are the key properties of 4-chloropurino[9,8-a]pyridine?
4-chloropurino[9,8-a]pyridine has a molecular weight of 204.62 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropurino[9,8-a]pyridine is sourced from PubChem (CID 10703405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).