(2R)-6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one

C14H10BrNO2 — CID 40901085

IUPAC(2R)-6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one
SMILESO=C1C[C@H](c2cccnc2)Oc2ccc(Br)cc21
InChIInChI=1S/C14H10BrNO2/c15-10-3-4-13-11(6-10)12(17)7-14(18-13)9-2-1-5-16-8-9/h1-6,8,14H,7H2/t14-/m1/s1
InChIKeyHPIKEKWGPKDJPK-CQSZACIVSA-N
MW304.14 g/mol
LogP3.55
Rot. Bonds1

About (2R)-6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one

(2R)-6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one (PubChem CID 40901085) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is (2R)-6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one
PubChem CID40901085
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name(2R)-6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one
SMILESO=C1C[C@H](c2cccnc2)Oc2ccc(Br)cc21
InChIInChI=1S/C14H10BrNO2/c15-10-3-4-13-11(6-10)12(17)7-14(18-13)9-2-1-5-16-8-9/h1-6,8,14H,7H2/t14-/m1/s1
InChIKeyHPIKEKWGPKDJPK-CQSZACIVSA-N
XLogP3.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551
6-bromo-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 114674234
6-bromo-2-(3-iodophenyl)-2,3-dihydrochromen-4-one
CID 114283242
6-bromo-2-(4-propan-2-ylphenyl)-2,3-dihydrochromen-4-one
CID 114674444
6-(4-methyl-1,4-diazepan-1-yl)-2-pyridin-3-yl-2,3-dihydrochromen-4-one
CID 141386094
6-bromo-2-(2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 58424087
6-bromo-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one
CID 114674428
6-bromo-2-(2-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one
CID 114674168
2-(3-bromophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 114673979
6-bromo-2-(2,5-difluorophenyl)-2,3-dihydrochromen-4-one
CID 114674291
6-bromo-2-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydrochromen-4-one
CID 114674271
6-bromo-2-(4-bromo-5-methylthiophen-2-yl)-2,3-dihydrochromen-4-one
CID 102846052

Frequently Asked Questions

What is the IUPAC name of (2R)-6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one (CID 40901085) is (2R)-6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one is O=C1C[C@H](c2cccnc2)Oc2ccc(Br)cc21.
What is the InChIKey of (2R)-6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one?
The InChIKey is HPIKEKWGPKDJPK-CQSZACIVSA-N. The full InChI is InChI=1S/C14H10BrNO2/c15-10-3-4-13-11(6-10)12(17)7-14(18-13)9-2-1-5-16-8-9/h1-6,8,14H,7H2/t14-/m1/s1.
What are the key properties of (2R)-6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one?
(2R)-6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one has a molecular weight of 304.14 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-bromo-2-pyridin-3-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 40901085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).