5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine

C12H12BrN3 — CID 115657472

IUPAC5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine
SMILESCc1cccnc1CNc1cncc(Br)c1
InChIInChI=1S/C12H12BrN3/c1-9-3-2-4-15-12(9)8-16-11-5-10(13)6-14-7-11/h2-7,16H,8H2,1H3
InChIKeyFQUKMSHRFZOXJF-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.16
Rot. Bonds3

About 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine

5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine (PubChem CID 115657472) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine
PubChem CID115657472
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine
SMILESCc1cccnc1CNc1cncc(Br)c1
InChIInChI=1S/C12H12BrN3/c1-9-3-2-4-15-12(9)8-16-11-5-10(13)6-14-7-11/h2-7,16H,8H2,1H3
InChIKeyFQUKMSHRFZOXJF-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine (CID 115657472) is 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine is Cc1cccnc1CNc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine?
The InChIKey is FQUKMSHRFZOXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-9-3-2-4-15-12(9)8-16-11-5-10(13)6-14-7-11/h2-7,16H,8H2,1H3.
What are the key properties of 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine?
5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine has a molecular weight of 278.15 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine is sourced from PubChem (CID 115657472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).