[6-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine

C10H11BrN4 — CID 106907410

IUPAC[6-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine
SMILESNCc1cccc(Cn2cc(Br)cn2)n1
InChIInChI=1S/C10H11BrN4/c11-8-5-13-15(6-8)7-10-3-1-2-9(4-12)14-10/h1-3,5-6H,4,7,12H2
InChIKeyACVJJYUGXMHWMU-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.55
Rot. Bonds3

About [6-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine

[6-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine (PubChem CID 106907410) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is [6-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine
PubChem CID106907410
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name[6-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine
SMILESNCc1cccc(Cn2cc(Br)cn2)n1
InChIInChI=1S/C10H11BrN4/c11-8-5-13-15(6-8)7-10-3-1-2-9(4-12)14-10/h1-3,5-6H,4,7,12H2
InChIKeyACVJJYUGXMHWMU-UHFFFAOYSA-N
XLogP1.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromopyrazol-1-yl)methyl]-6-methylpyridine
CID 79260621
[3-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine
CID 62895020
2-[(4-bromopyrazol-1-yl)methyl]-5-chloropyrazine
CID 103054509
2-[(4-bromopyrazol-1-yl)methyl]-4-(chloromethyl)-1,3-thiazole
CID 61035022
2-[(4-bromopyrazol-1-yl)methyl]prop-2-en-1-amine
CID 103072039
2,6-bis(pyrazol-1-ylmethyl)pyridine
CID 12975814
[6-(azetidin-1-ylmethyl)-2-pyridinyl]methanamine
CID 105437203
N-methyl-1-[6-[(4-phenylpyrazol-1-yl)methyl]-2-pyridinyl]methanamine
CID 106907449
1-[(1-benzhydrylazetidin-3-yl)methyl]-4-bromopyrazole
CID 154576008
2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-(chloromethyl)-1,3-thiazole
CID 61034902
3-[(4-bromopyrazol-1-yl)methyl]-5-ethyl-1,2,4-oxadiazole
CID 61496925
[5-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62244098

Frequently Asked Questions

What is the IUPAC name of [6-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [6-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine (CID 106907410) is [6-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [6-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine is NCc1cccc(Cn2cc(Br)cn2)n1.
What is the InChIKey of [6-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine?
The InChIKey is ACVJJYUGXMHWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c11-8-5-13-15(6-8)7-10-3-1-2-9(4-12)14-10/h1-3,5-6H,4,7,12H2.
What are the key properties of [6-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine?
[6-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine has a molecular weight of 267.13 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 106907410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).