(5-bromoquinolin-8-yl)-(5-methoxy-3-pyridinyl)methanol

C16H13BrN2O2 — CID 115959972

IUPAC(5-bromoquinolin-8-yl)-(5-methoxy-3-pyridinyl)methanol
SMILESCOc1cncc(C(O)c2ccc(Br)c3cccnc23)c1
InChIInChI=1S/C16H13BrN2O2/c1-21-11-7-10(8-18-9-11)16(20)13-4-5-14(17)12-3-2-6-19-15(12)13/h2-9,16,20H,1H3
InChIKeyAFKITKPOZRXSRE-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.48
Rot. Bonds3

About (5-bromoquinolin-8-yl)-(5-methoxy-3-pyridinyl)methanol

(5-bromoquinolin-8-yl)-(5-methoxy-3-pyridinyl)methanol (PubChem CID 115959972) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is (5-bromoquinolin-8-yl)-(5-methoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5-bromoquinolin-8-yl)-(5-methoxy-3-pyridinyl)methanol
PubChem CID115959972
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name(5-bromoquinolin-8-yl)-(5-methoxy-3-pyridinyl)methanol
SMILESCOc1cncc(C(O)c2ccc(Br)c3cccnc23)c1
InChIInChI=1S/C16H13BrN2O2/c1-21-11-7-10(8-18-9-11)16(20)13-4-5-14(17)12-3-2-6-19-15(12)13/h2-9,16,20H,1H3
InChIKeyAFKITKPOZRXSRE-UHFFFAOYSA-N
XLogP3.48
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828878
(5-bromoquinolin-8-yl)-(3,4-difluorophenyl)methanol
CID 115959949
(5-bromo-2-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828827
(3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
CID 82729580
(5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol
CID 115828863
(5-fluoro-3-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
CID 105121302
(5-bromoquinolin-8-yl)-(2,3-difluorophenyl)methanol
CID 115959915
(2-iodo-3-methylphenyl)-(5-methoxy-3-pyridinyl)methanol
CID 114030462
(2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanol
CID 174438652
methyl 4-(5-bromoquinolin-8-yl)-4-hydroxy-2-methylbutanoate
CID 115960217
1-(5-bromoquinolin-8-yl)-2-propoxyethanol
CID 112618151
5,7-dibromo-8-methoxyquinoline
CID 10805403

Frequently Asked Questions

What is the IUPAC name of (5-bromoquinolin-8-yl)-(5-methoxy-3-pyridinyl)methanol?
The IUPAC name of (5-bromoquinolin-8-yl)-(5-methoxy-3-pyridinyl)methanol (CID 115959972) is (5-bromoquinolin-8-yl)-(5-methoxy-3-pyridinyl)methanol.
What is the SMILES notation for (5-bromoquinolin-8-yl)-(5-methoxy-3-pyridinyl)methanol?
The canonical SMILES for (5-bromoquinolin-8-yl)-(5-methoxy-3-pyridinyl)methanol is COc1cncc(C(O)c2ccc(Br)c3cccnc23)c1.
What is the InChIKey of (5-bromoquinolin-8-yl)-(5-methoxy-3-pyridinyl)methanol?
The InChIKey is AFKITKPOZRXSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-21-11-7-10(8-18-9-11)16(20)13-4-5-14(17)12-3-2-6-19-15(12)13/h2-9,16,20H,1H3.
What are the key properties of (5-bromoquinolin-8-yl)-(5-methoxy-3-pyridinyl)methanol?
(5-bromoquinolin-8-yl)-(5-methoxy-3-pyridinyl)methanol has a molecular weight of 345.20 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromoquinolin-8-yl)-(5-methoxy-3-pyridinyl)methanol is sourced from PubChem (CID 115959972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).