2-[(4-bromo-2-chlorophenoxy)methyl]indolizine-1-carbonitrile

C16H10BrClN2O — CID 16582219

IUPAC2-[(4-bromo-2-chlorophenoxy)methyl]indolizine-1-carbonitrile
SMILESN#Cc1c(COc2ccc(Br)cc2Cl)cn2ccccc12
InChIInChI=1S/C16H10BrClN2O/c17-12-4-5-16(14(18)7-12)21-10-11-9-20-6-2-1-3-15(20)13(11)8-19/h1-7,9H,10H2
InChIKeyONWMOWZKNTYPEO-UHFFFAOYSA-N
MW361.63 g/mol
LogP4.81
Rot. Bonds3

About 2-[(4-bromo-2-chlorophenoxy)methyl]indolizine-1-carbonitrile

2-[(4-bromo-2-chlorophenoxy)methyl]indolizine-1-carbonitrile (PubChem CID 16582219) has the molecular formula C16H10BrClN2O and a molecular weight of 361.63 g/mol. Its IUPAC name is 2-[(4-bromo-2-chlorophenoxy)methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[(4-bromo-2-chlorophenoxy)methyl]indolizine-1-carbonitrile
PubChem CID16582219
Molecular FormulaC16H10BrClN2O
Molecular Weight361.63 g/mol
Exact Mass359.97
IUPAC Name2-[(4-bromo-2-chlorophenoxy)methyl]indolizine-1-carbonitrile
SMILESN#Cc1c(COc2ccc(Br)cc2Cl)cn2ccccc12
InChIInChI=1S/C16H10BrClN2O/c17-12-4-5-16(14(18)7-12)21-10-11-9-20-6-2-1-3-15(20)13(11)8-19/h1-7,9H,10H2
InChIKeyONWMOWZKNTYPEO-UHFFFAOYSA-N
XLogP4.81
TPSA37.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.63
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(5-bromo-2-methoxyphenyl)methyl-methylamino]methyl]indolizine-1-carbonitrile
CID 16605553
(1-cyanoindolizin-2-yl)methyl 2-(4-bromophenoxy)acetate
CID 16619726
2-[(4-bromo-2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 112779233
4-[(4-bromo-2-chlorophenoxy)methyl]-3-chlorobenzonitrile
CID 102665843
(1-cyanoindolizin-2-yl)methyl 2-(4-bromo-2-methylphenyl)sulfanylacetate
CID 16619608
2-(iodomethyl)indolizine-1-carbonitrile
CID 64786804
2-[(4-methylsulfonylphenoxy)methyl]indolizine-1-carbonitrile
CID 47019608
(1-cyanoindolizin-2-yl)methyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 16617037
(1-cyanoindolizin-2-yl)methyl pyridine-2-carboxylate
CID 18148882
4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene
CID 65490138
(1-cyanoindolizin-2-yl)methyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 16616503
3-bromo-4-[(4-bromo-2-chlorophenoxy)methyl]aniline
CID 60791838

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chlorophenoxy)methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[(4-bromo-2-chlorophenoxy)methyl]indolizine-1-carbonitrile (CID 16582219) is 2-[(4-bromo-2-chlorophenoxy)methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[(4-bromo-2-chlorophenoxy)methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[(4-bromo-2-chlorophenoxy)methyl]indolizine-1-carbonitrile is N#Cc1c(COc2ccc(Br)cc2Cl)cn2ccccc12.
What is the InChIKey of 2-[(4-bromo-2-chlorophenoxy)methyl]indolizine-1-carbonitrile?
The InChIKey is ONWMOWZKNTYPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClN2O/c17-12-4-5-16(14(18)7-12)21-10-11-9-20-6-2-1-3-15(20)13(11)8-19/h1-7,9H,10H2.
What are the key properties of 2-[(4-bromo-2-chlorophenoxy)methyl]indolizine-1-carbonitrile?
2-[(4-bromo-2-chlorophenoxy)methyl]indolizine-1-carbonitrile has a molecular weight of 361.63 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-chlorophenoxy)methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 16582219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).