5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine

C12H13BrN4 — CID 63305917

IUPAC5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine
SMILESCc1cccnc1CNc1ncc(Br)cc1N
InChIInChI=1S/C12H13BrN4/c1-8-3-2-4-15-11(8)7-17-12-10(14)5-9(13)6-16-12/h2-6H,7,14H2,1H3,(H,16,17)
InChIKeyCCWVCEGZJNTJHF-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.74
Rot. Bonds3

About 5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine

5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine (PubChem CID 63305917) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine
PubChem CID63305917
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine
SMILESCc1cccnc1CNc1ncc(Br)cc1N
InChIInChI=1S/C12H13BrN4/c1-8-3-2-4-15-11(8)7-17-12-10(14)5-9(13)6-16-12/h2-6H,7,14H2,1H3,(H,16,17)
InChIKeyCCWVCEGZJNTJHF-UHFFFAOYSA-N
XLogP2.74
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine
CID 106894815
3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine
CID 116784241
3-bromo-4-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 106875724
2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650051
3,5-dichloro-N-[(3-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 63306272
2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 63305875
2,5-dibromo-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650097
3,5-dichloro-6-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,6-diamine
CID 102758255
5-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,5-diamine
CID 63305919
5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
CID 63293701
5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
CID 103460153
5-bromo-2-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2,3-diamine
CID 106035477

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine (CID 63305917) is 5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine is Cc1cccnc1CNc1ncc(Br)cc1N.
What is the InChIKey of 5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine?
The InChIKey is CCWVCEGZJNTJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-8-3-2-4-15-11(8)7-17-12-10(14)5-9(13)6-16-12/h2-6H,7,14H2,1H3,(H,16,17).
What are the key properties of 5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine?
5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine has a molecular weight of 293.17 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 63305917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).