2-chloro-4-(1H-indol-2-yl)pyrimidin-5-ol

C12H8ClN3O — CID 170993085

IUPAC2-chloro-4-(1H-indol-2-yl)pyrimidin-5-ol
SMILESOc1cnc(Cl)nc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C12H8ClN3O/c13-12-14-6-10(17)11(16-12)9-5-7-3-1-2-4-8(7)15-9/h1-6,15,17H
InChIKeyBULBFUQZRFPNBH-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.98
Rot. Bonds1

About 2-chloro-4-(1H-indol-2-yl)pyrimidin-5-ol

2-chloro-4-(1H-indol-2-yl)pyrimidin-5-ol (PubChem CID 170993085) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-chloro-4-(1H-indol-2-yl)pyrimidin-5-ol.

Molecular Properties

Compound Name2-chloro-4-(1H-indol-2-yl)pyrimidin-5-ol
PubChem CID170993085
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name2-chloro-4-(1H-indol-2-yl)pyrimidin-5-ol
SMILESOc1cnc(Cl)nc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C12H8ClN3O/c13-12-14-6-10(17)11(16-12)9-5-7-3-1-2-4-8(7)15-9/h1-6,15,17H
InChIKeyBULBFUQZRFPNBH-UHFFFAOYSA-N
XLogP2.98
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-(1H-indol-2-yl)pyrimidin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4H-cyclopenta[b]quinolin-1-ol
CID 154308878
2-(5-methyl-2-pyridinyl)-1H-indole
CID 66770585
4-(1H-indol-2-yl)phenol
CID 11287260
2,5-bis(1H-indol-2-yl)phenol
CID 67739555
2,4-dichloro-6-(1H-indol-2-yl)phenol
CID 142650101
2-(1H-diazirin-3-yl)-1H-indole
CID 137250152
2-(1H-indol-2-yl)-1,3-oxazole
CID 67340234
2-(1H-indol-2-yl)phenol;sulfuric acid
CID 155109187
2-(1H-indol-2-yl)quinazoline
CID 68890263
6-chloro-2-(5-fluoro-1H-indol-2-yl)pyridin-3-ol
CID 90333492
2-chloro-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
CID 72698299
2-(1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 69186852

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1H-indol-2-yl)pyrimidin-5-ol?
The IUPAC name of 2-chloro-4-(1H-indol-2-yl)pyrimidin-5-ol (CID 170993085) is 2-chloro-4-(1H-indol-2-yl)pyrimidin-5-ol.
What is the SMILES notation for 2-chloro-4-(1H-indol-2-yl)pyrimidin-5-ol?
The canonical SMILES for 2-chloro-4-(1H-indol-2-yl)pyrimidin-5-ol is Oc1cnc(Cl)nc1-c1cc2ccccc2[nH]1.
What is the InChIKey of 2-chloro-4-(1H-indol-2-yl)pyrimidin-5-ol?
The InChIKey is BULBFUQZRFPNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-12-14-6-10(17)11(16-12)9-5-7-3-1-2-4-8(7)15-9/h1-6,15,17H.
What are the key properties of 2-chloro-4-(1H-indol-2-yl)pyrimidin-5-ol?
2-chloro-4-(1H-indol-2-yl)pyrimidin-5-ol has a molecular weight of 245.67 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1H-indol-2-yl)pyrimidin-5-ol is sourced from PubChem (CID 170993085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).