4,6-dibromo-2-chloro-5-methyl-N-prop-2-enylpyridin-3-amine

C9H9Br2ClN2 — CID 58269933

IUPAC4,6-dibromo-2-chloro-5-methyl-N-prop-2-enylpyridin-3-amine
SMILESC=CCNc1c(Cl)nc(Br)c(C)c1Br
InChIInChI=1S/C9H9Br2ClN2/c1-3-4-13-7-6(10)5(2)8(11)14-9(7)12/h3,13H,1,4H2,2H3
InChIKeyFJKFYRJXBQATSO-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.17
Rot. Bonds3

About 4,6-dibromo-2-chloro-5-methyl-N-prop-2-enylpyridin-3-amine

4,6-dibromo-2-chloro-5-methyl-N-prop-2-enylpyridin-3-amine (PubChem CID 58269933) has the molecular formula C9H9Br2ClN2 and a molecular weight of 340.45 g/mol. Its IUPAC name is 4,6-dibromo-2-chloro-5-methyl-N-prop-2-enylpyridin-3-amine.

Molecular Properties

Compound Name4,6-dibromo-2-chloro-5-methyl-N-prop-2-enylpyridin-3-amine
PubChem CID58269933
Molecular FormulaC9H9Br2ClN2
Molecular Weight340.45 g/mol
Exact Mass337.88
IUPAC Name4,6-dibromo-2-chloro-5-methyl-N-prop-2-enylpyridin-3-amine
SMILESC=CCNc1c(Cl)nc(Br)c(C)c1Br
InChIInChI=1S/C9H9Br2ClN2/c1-3-4-13-7-6(10)5(2)8(11)14-9(7)12/h3,13H,1,4H2,2H3
InChIKeyFJKFYRJXBQATSO-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-2-amine
CID 82309500
6-chloro-5-N-prop-2-enylpyrimidine-4,5-diamine
CID 11600794
6-chloro-4-N-methyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 54353580
3-chloro-N-prop-2-enylquinoxalin-2-amine
CID 10775263
5-chloro-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 23736669
4-bromo-2,6-difluoro-N-prop-2-enylaniline
CID 65469758
1-(4-bromo-3,5-dimethylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 107581499
6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 3132066
3-N,6-N-bis(prop-2-enyl)-1,2,4,5-tetrazine-3,6-diamine
CID 535108
4-bromo-2,3-dichloro-N-prop-2-enylaniline
CID 107789045
6-chloro-2-N-(2-methylprop-2-enyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 15729053
6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
CID 106194655

Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2-chloro-5-methyl-N-prop-2-enylpyridin-3-amine?
The IUPAC name of 4,6-dibromo-2-chloro-5-methyl-N-prop-2-enylpyridin-3-amine (CID 58269933) is 4,6-dibromo-2-chloro-5-methyl-N-prop-2-enylpyridin-3-amine.
What is the SMILES notation for 4,6-dibromo-2-chloro-5-methyl-N-prop-2-enylpyridin-3-amine?
The canonical SMILES for 4,6-dibromo-2-chloro-5-methyl-N-prop-2-enylpyridin-3-amine is C=CCNc1c(Cl)nc(Br)c(C)c1Br.
What is the InChIKey of 4,6-dibromo-2-chloro-5-methyl-N-prop-2-enylpyridin-3-amine?
The InChIKey is FJKFYRJXBQATSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2ClN2/c1-3-4-13-7-6(10)5(2)8(11)14-9(7)12/h3,13H,1,4H2,2H3.
What are the key properties of 4,6-dibromo-2-chloro-5-methyl-N-prop-2-enylpyridin-3-amine?
4,6-dibromo-2-chloro-5-methyl-N-prop-2-enylpyridin-3-amine has a molecular weight of 340.45 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2-chloro-5-methyl-N-prop-2-enylpyridin-3-amine is sourced from PubChem (CID 58269933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).