3,5-dibromo-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine

C14H14Br2N2O — CID 102907825

IUPAC3,5-dibromo-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine
SMILESCOCCc1ccccc1Nc1ncc(Br)cc1Br
InChIInChI=1S/C14H14Br2N2O/c1-19-7-6-10-4-2-3-5-13(10)18-14-12(16)8-11(15)9-17-14/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyNSJNCGHLECTTDU-UHFFFAOYSA-N
MW386.09 g/mol
LogP4.54
Rot. Bonds5

About 3,5-dibromo-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine

3,5-dibromo-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine (PubChem CID 102907825) has the molecular formula C14H14Br2N2O and a molecular weight of 386.09 g/mol. Its IUPAC name is 3,5-dibromo-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine
PubChem CID102907825
Molecular FormulaC14H14Br2N2O
Molecular Weight386.09 g/mol
Exact Mass383.95
IUPAC Name3,5-dibromo-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine
SMILESCOCCc1ccccc1Nc1ncc(Br)cc1Br
InChIInChI=1S/C14H14Br2N2O/c1-19-7-6-10-4-2-3-5-13(10)18-14-12(16)8-11(15)9-17-14/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyNSJNCGHLECTTDU-UHFFFAOYSA-N
XLogP4.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.09
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3-diamine
CID 102903407
4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
CID 102908724
6-methoxy-4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,5-diamine
CID 102903424
1-bromo-2-(2-methoxyethyl)benzene
CID 5151997
3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine
CID 113413714
N-[2-(2-methoxyethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 102905003
4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 102908789
6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine
CID 102907328
5-iodo-4-[2-(2-methoxyethyl)anilino]-1H-pyrimidin-6-one
CID 136981205
5-bromo-N-(2-ethylphenyl)-3-nitropyridin-2-amine
CID 63463330
4-N-[2-(2-methoxyethyl)phenyl]pyridine-3,4-diamine
CID 102903431
6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine
CID 102903466

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine (CID 102907825) is 3,5-dibromo-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine is COCCc1ccccc1Nc1ncc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine?
The InChIKey is NSJNCGHLECTTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O/c1-19-7-6-10-4-2-3-5-13(10)18-14-12(16)8-11(15)9-17-14/h2-5,8-9H,6-7H2,1H3,(H,17,18).
What are the key properties of 3,5-dibromo-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine?
3,5-dibromo-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine has a molecular weight of 386.09 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 102907825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).