1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine

C14H13Br2ClN2O2 — CID 79406807

IUPAC1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(Oc2cc(Br)c(OC)cc2Br)c(Cl)c1
InChIInChI=1S/C14H13Br2ClN2O2/c1-18-6-8-3-11(17)14(19-7-8)21-13-5-9(15)12(20-2)4-10(13)16/h3-5,7,18H,6H2,1-2H3
InChIKeyLOGZLJFCXLRRLH-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.78
Rot. Bonds5

About 1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine

1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine (PubChem CID 79406807) has the molecular formula C14H13Br2ClN2O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is 1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine
PubChem CID79406807
Molecular FormulaC14H13Br2ClN2O2
Molecular Weight436.53 g/mol
Exact Mass433.90
IUPAC Name1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(Oc2cc(Br)c(OC)cc2Br)c(Cl)c1
InChIInChI=1S/C14H13Br2ClN2O2/c1-18-6-8-3-11(17)14(19-7-8)21-13-5-9(15)12(20-2)4-10(13)16/h3-5,7,18H,6H2,1-2H3
InChIKeyLOGZLJFCXLRRLH-UHFFFAOYSA-N
XLogP4.78
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-chloro-6-(2,4,5-trichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62296357
1-[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-N-methylmethanamine
CID 62291646
N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321494
1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine
CID 62296845
1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine
CID 62292187
1-[6-(2,5-dibromo-4-methoxyphenoxy)pyrazin-2-yl]-N-methylmethanamine
CID 79404096
3-bromo-2-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
CID 105368353
N-[[6-(2-bromo-4-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]propan-1-amine
CID 62298131
1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine
CID 107387718
[5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol
CID 64721323
1-[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]-N-methylmethanamine
CID 79406092
1-[5-chloro-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]-N-methylmethanamine
CID 82956986

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine (CID 79406807) is 1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine is CNCc1cnc(Oc2cc(Br)c(OC)cc2Br)c(Cl)c1.
What is the InChIKey of 1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is LOGZLJFCXLRRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2ClN2O2/c1-18-6-8-3-11(17)14(19-7-8)21-13-5-9(15)12(20-2)4-10(13)16/h3-5,7,18H,6H2,1-2H3.
What are the key properties of 1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine?
1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 436.53 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-6-(2,5-dibromo-4-methoxyphenoxy)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 79406807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).