6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine

C14H14BrCl2N3 — CID 102755127

IUPAC6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(Nc2ccccc2Br)c(Cl)cc1Cl
InChIInChI=1S/C14H14BrCl2N3/c1-2-7-18-13-10(16)8-11(17)14(20-13)19-12-6-4-3-5-9(12)15/h3-6,8H,2,7H2,1H3,(H2,18,19,20)
InChIKeyDCSDCCDQDLSQJN-UHFFFAOYSA-N
MW375.10 g/mol
LogP5.72
Rot. Bonds5

About 6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine

6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine (PubChem CID 102755127) has the molecular formula C14H14BrCl2N3 and a molecular weight of 375.10 g/mol. Its IUPAC name is 6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine
PubChem CID102755127
Molecular FormulaC14H14BrCl2N3
Molecular Weight375.10 g/mol
Exact Mass372.97
IUPAC Name6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1nc(Nc2ccccc2Br)c(Cl)cc1Cl
InChIInChI=1S/C14H14BrCl2N3/c1-2-7-18-13-10(16)8-11(17)14(20-13)19-12-6-4-3-5-9(12)15/h3-6,8H,2,7H2,1H3,(H2,18,19,20)
InChIKeyDCSDCCDQDLSQJN-UHFFFAOYSA-N
XLogP5.72
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.10
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102755165
3,5-dichloro-6-N-(2,4-dimethylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102755080
6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755576
6-N-(2-bromo-4-chlorophenyl)-3,5-dichloro-2-N-ethylpyridine-2,6-diamine
CID 102759236
3,5-dichloro-6-N-(2,5-dibromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102756861
3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine
CID 102758994
3,5-dichloro-2-N-ethyl-6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
CID 107647228
N-(2-bromophenyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 62166024
3,5-dichloro-6-N-(2,3-dichlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 102754524
3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102756873
4-N-(2-bromophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80956080
3-bromo-4-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 107795168

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine (CID 102755127) is 6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine is CCCNc1nc(Nc2ccccc2Br)c(Cl)cc1Cl.
What is the InChIKey of 6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine?
The InChIKey is DCSDCCDQDLSQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrCl2N3/c1-2-7-18-13-10(16)8-11(17)14(20-13)19-12-6-4-3-5-9(12)15/h3-6,8H,2,7H2,1H3,(H2,18,19,20).
What are the key properties of 6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine?
6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine has a molecular weight of 375.10 g/mol, XLogP of 5.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-bromophenyl)-3,5-dichloro-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102755127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).