6-[(4-bromo-2-chlorophenoxy)methyl]pyridin-2-amine

C12H10BrClN2O — CID 79238776

IUPAC6-[(4-bromo-2-chlorophenoxy)methyl]pyridin-2-amine
SMILESNc1cccc(COc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C12H10BrClN2O/c13-8-4-5-11(10(14)6-8)17-7-9-2-1-3-12(15)16-9/h1-6H,7H2,(H2,15,16)
InChIKeyKHXYFQHFVUCIIF-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.66
Rot. Bonds3

About 6-[(4-bromo-2-chlorophenoxy)methyl]pyridin-2-amine

6-[(4-bromo-2-chlorophenoxy)methyl]pyridin-2-amine (PubChem CID 79238776) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is 6-[(4-bromo-2-chlorophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[(4-bromo-2-chlorophenoxy)methyl]pyridin-2-amine
PubChem CID79238776
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name6-[(4-bromo-2-chlorophenoxy)methyl]pyridin-2-amine
SMILESNc1cccc(COc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C12H10BrClN2O/c13-8-4-5-11(10(14)6-8)17-7-9-2-1-3-12(15)16-9/h1-6H,7H2,(H2,15,16)
InChIKeyKHXYFQHFVUCIIF-UHFFFAOYSA-N
XLogP3.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 79239271
2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine
CID 79255856
6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine
CID 79403480
2-[(4-bromo-2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 112779233
3-bromo-4-[(4-bromo-2-chlorophenoxy)methyl]aniline
CID 60791838
2-[(4-bromo-2-chlorophenoxy)methyl]-5-chloroaniline
CID 63459720
[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79233690
4-[(4-bromo-2-chlorophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664287
2-[(4-bromophenoxy)methyl]-6-chloropyridine
CID 79240676
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine
CID 83140412
3-[3-(4-bromo-2-chlorophenoxy)propoxy]aniline
CID 43174446

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-2-chlorophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 6-[(4-bromo-2-chlorophenoxy)methyl]pyridin-2-amine (CID 79238776) is 6-[(4-bromo-2-chlorophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 6-[(4-bromo-2-chlorophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 6-[(4-bromo-2-chlorophenoxy)methyl]pyridin-2-amine is Nc1cccc(COc2ccc(Br)cc2Cl)n1.
What is the InChIKey of 6-[(4-bromo-2-chlorophenoxy)methyl]pyridin-2-amine?
The InChIKey is KHXYFQHFVUCIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c13-8-4-5-11(10(14)6-8)17-7-9-2-1-3-12(15)16-9/h1-6H,7H2,(H2,15,16).
What are the key properties of 6-[(4-bromo-2-chlorophenoxy)methyl]pyridin-2-amine?
6-[(4-bromo-2-chlorophenoxy)methyl]pyridin-2-amine has a molecular weight of 313.58 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-2-chlorophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 79238776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).