3-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine

C12H12BrN3 — CID 62995375

IUPAC3-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine
SMILESCc1ccc(CNc2ncccc2Br)cn1
InChIInChI=1S/C12H12BrN3/c1-9-4-5-10(7-15-9)8-16-12-11(13)3-2-6-14-12/h2-7H,8H2,1H3,(H,14,16)
InChIKeyAAUGQRKGFAKMOC-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.16
Rot. Bonds3

About 3-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine

3-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine (PubChem CID 62995375) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 3-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine
PubChem CID62995375
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name3-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine
SMILESCc1ccc(CNc2ncccc2Br)cn1
InChIInChI=1S/C12H12BrN3/c1-9-4-5-10(7-15-9)8-16-12-11(13)3-2-6-14-12/h2-7H,8H2,1H3,(H,14,16)
InChIKeyAAUGQRKGFAKMOC-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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Related Compounds

3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazin-2-amine
CID 83064247
N-benzyl-3-bromopyridin-2-amine
CID 11708714
2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine
CID 104819732
3-bromo-N-[(5-methyl-1,3-oxazol-4-yl)methyl]pyridin-2-amine
CID 130877519
3,6-dichloro-N-[(6-methyl-3-pyridinyl)methyl]-1,2,4-triazin-5-amine
CID 81036548
1-methyl-N-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridin-4-amine
CID 103385596
2-bromo-3-chloro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 103478067
N-[(6-methyl-3-pyridinyl)methyl]quinolin-5-amine
CID 104756560
3-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 61373168
4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine
CID 79918373
2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 60965717
4-bromo-5-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66110547

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine (CID 62995375) is 3-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine is Cc1ccc(CNc2ncccc2Br)cn1.
What is the InChIKey of 3-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine?
The InChIKey is AAUGQRKGFAKMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-9-4-5-10(7-15-9)8-16-12-11(13)3-2-6-14-12/h2-7H,8H2,1H3,(H,14,16).
What are the key properties of 3-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine?
3-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-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 3-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 62995375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).