(5-bromo-2-pyridinyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol

C14H13BrN2O — CID 113393961

IUPAC(5-bromo-2-pyridinyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol
SMILESOC(c1ccc(Br)cn1)C1NCc2ccccc21
InChIInChI=1S/C14H13BrN2O/c15-10-5-6-12(16-8-10)14(18)13-11-4-2-1-3-9(11)7-17-13/h1-6,8,13-14,17-18H,7H2
InChIKeyIGWCPWXACNBRSX-UHFFFAOYSA-N
MW305.18 g/mol
LogP2.72
Rot. Bonds2

About (5-bromo-2-pyridinyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol

(5-bromo-2-pyridinyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol (PubChem CID 113393961) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol
PubChem CID113393961
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name(5-bromo-2-pyridinyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol
SMILESOC(c1ccc(Br)cn1)C1NCc2ccccc21
InChIInChI=1S/C14H13BrN2O/c15-10-5-6-12(16-8-10)14(18)13-11-4-2-1-3-9(11)7-17-13/h1-6,8,13-14,17-18H,7H2
InChIKeyIGWCPWXACNBRSX-UHFFFAOYSA-N
XLogP2.72
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol?
The IUPAC name of (5-bromo-2-pyridinyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol (CID 113393961) is (5-bromo-2-pyridinyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol.
What is the SMILES notation for (5-bromo-2-pyridinyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol?
The canonical SMILES for (5-bromo-2-pyridinyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol is OC(c1ccc(Br)cn1)C1NCc2ccccc21.
What is the InChIKey of (5-bromo-2-pyridinyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol?
The InChIKey is IGWCPWXACNBRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c15-10-5-6-12(16-8-10)14(18)13-11-4-2-1-3-9(11)7-17-13/h1-6,8,13-14,17-18H,7H2.
What are the key properties of (5-bromo-2-pyridinyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol?
(5-bromo-2-pyridinyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol has a molecular weight of 305.18 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol is sourced from PubChem (CID 113393961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).