9-bromo-5H-chromeno[4,3-d]pyrimidine

C11H7BrN2O — CID 84710966

IUPAC9-bromo-5H-chromeno[4,3-d]pyrimidine
SMILESBrc1ccc2c(c1)-c1ncncc1CO2
InChIInChI=1S/C11H7BrN2O/c12-8-1-2-10-9(3-8)11-7(5-15-10)4-13-6-14-11/h1-4,6H,5H2
InChIKeyFRIBDIWMEQHLLA-UHFFFAOYSA-N
MW263.09 g/mol
LogP2.80
Rot. Bonds

About 9-bromo-5H-chromeno[4,3-d]pyrimidine

9-bromo-5H-chromeno[4,3-d]pyrimidine (PubChem CID 84710966) has the molecular formula C11H7BrN2O and a molecular weight of 263.09 g/mol. Its IUPAC name is 9-bromo-5H-chromeno[4,3-d]pyrimidine.

Molecular Properties

Compound Name9-bromo-5H-chromeno[4,3-d]pyrimidine
PubChem CID84710966
Molecular FormulaC11H7BrN2O
Molecular Weight263.09 g/mol
Exact Mass261.97
IUPAC Name9-bromo-5H-chromeno[4,3-d]pyrimidine
SMILESBrc1ccc2c(c1)-c1ncncc1CO2
InChIInChI=1S/C11H7BrN2O/c12-8-1-2-10-9(3-8)11-7(5-15-10)4-13-6-14-11/h1-4,6H,5H2
InChIKeyFRIBDIWMEQHLLA-UHFFFAOYSA-N
XLogP2.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-bromo-4H-chromeno[4,3-d][1,3]thiazol-2-amine
CID 23733727
8-bromo-5,5-dimethylindeno[1,2-d]pyrimidine
CID 139524867
3-(2-bromo-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
CID 54366501
3-chloro-5H-chromeno[4,3-b]pyridine
CID 15748939
6-bromo-3-iodo-4-phenyl-2H-chromene
CID 139048251
(11S)-2,9-dibromo-6,11-dihydrobenzo[c][1]benzoxepine-11-carbaldehyde
CID 125471015
3-amino-6-bromo-2,3-dihydrochromen-4-one
CID 71390958
3-bromo-7H-benzo[d][2]benzoxepin-5-one
CID 148954323
5,28-dibromo-12,21-dioxahexacyclo[20.8.0.02,11.03,8.014,19.025,30]triaconta-1(22),2(11),3(8),4,6,9,14,16,18,23,25(30),26,28-tridecaene
CID 568887
8-bromo-3-methylsulfanyl-6H-isochromeno[3,4-d]pyrimidine
CID 167503185
(3Z)-6-bromo-3-(quinolin-6-ylmethylidene)chromen-4-one
CID 55511502
(7-bromo-2,3-dihydro-1,4-benzoxazepin-5-yl)hydrazine
CID 71150596

Frequently Asked Questions

What is the IUPAC name of 9-bromo-5H-chromeno[4,3-d]pyrimidine?
The IUPAC name of 9-bromo-5H-chromeno[4,3-d]pyrimidine (CID 84710966) is 9-bromo-5H-chromeno[4,3-d]pyrimidine.
What is the SMILES notation for 9-bromo-5H-chromeno[4,3-d]pyrimidine?
The canonical SMILES for 9-bromo-5H-chromeno[4,3-d]pyrimidine is Brc1ccc2c(c1)-c1ncncc1CO2.
What is the InChIKey of 9-bromo-5H-chromeno[4,3-d]pyrimidine?
The InChIKey is FRIBDIWMEQHLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O/c12-8-1-2-10-9(3-8)11-7(5-15-10)4-13-6-14-11/h1-4,6H,5H2.
What are the key properties of 9-bromo-5H-chromeno[4,3-d]pyrimidine?
9-bromo-5H-chromeno[4,3-d]pyrimidine has a molecular weight of 263.09 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-5H-chromeno[4,3-d]pyrimidine is sourced from PubChem (CID 84710966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).