6-bromo-3-pyridin-2-ylchromen-2-imine

C14H9BrN2O — CID 2358858

IUPAC6-bromo-3-pyridin-2-ylchromen-2-imine
SMILES[H]/N=c1\oc2ccc(Br)cc2cc1-c1ccccn1
InChIInChI=1S/C14H9BrN2O/c15-10-4-5-13-9(7-10)8-11(14(16)18-13)12-3-1-2-6-17-12/h1-8,16H/b16-14-
InChIKeyCVCZNIWHLGAKEH-PEZBUJJGSA-N
MW301.14 g/mol
LogP3.74
Rot. Bonds1

About 6-bromo-3-pyridin-2-ylchromen-2-imine

6-bromo-3-pyridin-2-ylchromen-2-imine (PubChem CID 2358858) has the molecular formula C14H9BrN2O and a molecular weight of 301.14 g/mol. Its IUPAC name is 6-bromo-3-pyridin-2-ylchromen-2-imine.

Molecular Properties

Compound Name6-bromo-3-pyridin-2-ylchromen-2-imine
PubChem CID2358858
Molecular FormulaC14H9BrN2O
Molecular Weight301.14 g/mol
Exact Mass299.99
IUPAC Name6-bromo-3-pyridin-2-ylchromen-2-imine
SMILES[H]/N=c1\oc2ccc(Br)cc2cc1-c1ccccn1
InChIInChI=1S/C14H9BrN2O/c15-10-4-5-13-9(7-10)8-11(14(16)18-13)12-3-1-2-6-17-12/h1-8,16H/b16-14-
InChIKeyCVCZNIWHLGAKEH-PEZBUJJGSA-N
XLogP3.74
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-ethoxybenzyl)-N-(3-pyridinylmethyl)amine
CID 834314
(NE)-N-(6-bromo-2-isoquinolin-3-ylchromen-4-ylidene)hydroxylamine
CID 136503365
2H-Pyrano(2,3-b)pyridine, 6-bromo-2-phenyl-
CID 514908
2-(2-Methoxyphenyl)pyridine
CID 231605
6-bromo-2-oxo-N-(pyridin-2-ylmethyl)-2H-chromene-3-carboxamide
CID 1244356
{5-Bromo-2-[(2-fluorobenzyl)oxy]benzyl}(3-pyridinylmethyl)amine hydrochloride
CID 2951238
{5-Bromo-2-[(4-fluorobenzyl)oxy]benzyl}(4-pyridinylmethyl)amine hydrochloride
CID 2967412
[2-(Benzyloxy)-5-bromobenzyl](4-pyridinylmethyl)amine hydrochloride
CID 2968869
N-[[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2979789
9-Bromo-1'-isopropyl-2-(pyridin-3-yl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]
CID 3717232
4-Bromo-2-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol
CID 5008754
2-[3-[2-[5-Bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]pyridine
CID 44432373

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-pyridin-2-ylchromen-2-imine?
The IUPAC name of 6-bromo-3-pyridin-2-ylchromen-2-imine (CID 2358858) is 6-bromo-3-pyridin-2-ylchromen-2-imine.
What is the SMILES notation for 6-bromo-3-pyridin-2-ylchromen-2-imine?
The canonical SMILES for 6-bromo-3-pyridin-2-ylchromen-2-imine is [H]/N=c1\oc2ccc(Br)cc2cc1-c1ccccn1.
What is the InChIKey of 6-bromo-3-pyridin-2-ylchromen-2-imine?
The InChIKey is CVCZNIWHLGAKEH-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H9BrN2O/c15-10-4-5-13-9(7-10)8-11(14(16)18-13)12-3-1-2-6-17-12/h1-8,16H/b16-14-.
What are the key properties of 6-bromo-3-pyridin-2-ylchromen-2-imine?
6-bromo-3-pyridin-2-ylchromen-2-imine has a molecular weight of 301.14 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-pyridin-2-ylchromen-2-imine is sourced from PubChem (CID 2358858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).