1-(1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine

C9H13BrClN3 — CID 83867685

IUPAC1-(1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine
SMILESCNCC1CCc2c(Br)nc(Cl)n2C1
InChIInChI=1S/C9H13BrClN3/c1-12-4-6-2-3-7-8(10)13-9(11)14(7)5-6/h6,12H,2-5H2,1H3
InChIKeyAFCJOZHEZPTBGU-UHFFFAOYSA-N
MW278.58 g/mol
LogP2.08
Rot. Bonds2

About 1-(1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine

1-(1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine (PubChem CID 83867685) has the molecular formula C9H13BrClN3 and a molecular weight of 278.58 g/mol. Its IUPAC name is 1-(1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine
PubChem CID83867685
Molecular FormulaC9H13BrClN3
Molecular Weight278.58 g/mol
Exact Mass277.00
IUPAC Name1-(1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine
SMILESCNCC1CCc2c(Br)nc(Cl)n2C1
InChIInChI=1S/C9H13BrClN3/c1-12-4-6-2-3-7-8(10)13-9(11)14(7)5-6/h6,12H,2-5H2,1H3
InChIKeyAFCJOZHEZPTBGU-UHFFFAOYSA-N
XLogP2.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-N-methylmethanamine
CID 83867915
1-(3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine
CID 83869834
N-methyl-1-[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95732943
N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 83866053
1-[1-(4-bromo-2,6-dichlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62512255
1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-ol
CID 117248552
1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 103480332
1-[1-(5-bromo-4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 106998129
N-methyl-1-(4-methylidenecyclohexyl)methanamine
CID 88567743
1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63873022
1-(3-chloro-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-N-methylmethanamine
CID 83869908
N-methyl-1-(2-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanamine
CID 84718418

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine (CID 83867685) is 1-(1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine is CNCC1CCc2c(Br)nc(Cl)n2C1.
What is the InChIKey of 1-(1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine?
The InChIKey is AFCJOZHEZPTBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrClN3/c1-12-4-6-2-3-7-8(10)13-9(11)14(7)5-6/h6,12H,2-5H2,1H3.
What are the key properties of 1-(1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine?
1-(1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine has a molecular weight of 278.58 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)-N-methylmethanamine is sourced from PubChem (CID 83867685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).