5-(2-amino-5-methyl-4-pyridinyl)-3-bromopyridin-2-amine

C11H11BrN4 — CID 118045722

IUPAC5-(2-amino-5-methyl-4-pyridinyl)-3-bromopyridin-2-amine
SMILESCc1cnc(N)cc1-c1cnc(N)c(Br)c1
InChIInChI=1S/C11H11BrN4/c1-6-4-15-10(13)3-8(6)7-2-9(12)11(14)16-5-7/h2-5H,1H3,(H2,13,15)(H2,14,16)
InChIKeyTZQVIYUSDNMBJS-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.38
Rot. Bonds1

About 5-(2-amino-5-methyl-4-pyridinyl)-3-bromopyridin-2-amine

5-(2-amino-5-methyl-4-pyridinyl)-3-bromopyridin-2-amine (PubChem CID 118045722) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 5-(2-amino-5-methyl-4-pyridinyl)-3-bromopyridin-2-amine.

Molecular Properties

Compound Name5-(2-amino-5-methyl-4-pyridinyl)-3-bromopyridin-2-amine
PubChem CID118045722
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name5-(2-amino-5-methyl-4-pyridinyl)-3-bromopyridin-2-amine
SMILESCc1cnc(N)cc1-c1cnc(N)c(Br)c1
InChIInChI=1S/C11H11BrN4/c1-6-4-15-10(13)3-8(6)7-2-9(12)11(14)16-5-7/h2-5H,1H3,(H2,13,15)(H2,14,16)
InChIKeyTZQVIYUSDNMBJS-UHFFFAOYSA-N
XLogP2.38
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-methyl-4-pyridinyl)-3-bromopyridin-2-amine?
The IUPAC name of 5-(2-amino-5-methyl-4-pyridinyl)-3-bromopyridin-2-amine (CID 118045722) is 5-(2-amino-5-methyl-4-pyridinyl)-3-bromopyridin-2-amine.
What is the SMILES notation for 5-(2-amino-5-methyl-4-pyridinyl)-3-bromopyridin-2-amine?
The canonical SMILES for 5-(2-amino-5-methyl-4-pyridinyl)-3-bromopyridin-2-amine is Cc1cnc(N)cc1-c1cnc(N)c(Br)c1.
What is the InChIKey of 5-(2-amino-5-methyl-4-pyridinyl)-3-bromopyridin-2-amine?
The InChIKey is TZQVIYUSDNMBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c1-6-4-15-10(13)3-8(6)7-2-9(12)11(14)16-5-7/h2-5H,1H3,(H2,13,15)(H2,14,16).
What are the key properties of 5-(2-amino-5-methyl-4-pyridinyl)-3-bromopyridin-2-amine?
5-(2-amino-5-methyl-4-pyridinyl)-3-bromopyridin-2-amine has a molecular weight of 279.14 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-methyl-4-pyridinyl)-3-bromopyridin-2-amine is sourced from PubChem (CID 118045722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).