3-bromo-5-(1-methylpyrazol-3-yl)pyridin-2-amine

C9H9BrN4 — CID 172631334

IUPAC3-bromo-5-(1-methylpyrazol-3-yl)pyridin-2-amine
SMILESCn1ccc(-c2cnc(N)c(Br)c2)n1
InChIInChI=1S/C9H9BrN4/c1-14-3-2-8(13-14)6-4-7(10)9(11)12-5-6/h2-5H,1H3,(H2,11,12)
InChIKeyCMZPKUSNUNVUSS-UHFFFAOYSA-N
MW253.10 g/mol
LogP1.83
Rot. Bonds1

About 3-bromo-5-(1-methylpyrazol-3-yl)pyridin-2-amine

3-bromo-5-(1-methylpyrazol-3-yl)pyridin-2-amine (PubChem CID 172631334) has the molecular formula C9H9BrN4 and a molecular weight of 253.10 g/mol. Its IUPAC name is 3-bromo-5-(1-methylpyrazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-(1-methylpyrazol-3-yl)pyridin-2-amine
PubChem CID172631334
Molecular FormulaC9H9BrN4
Molecular Weight253.10 g/mol
Exact Mass252.00
IUPAC Name3-bromo-5-(1-methylpyrazol-3-yl)pyridin-2-amine
SMILESCn1ccc(-c2cnc(N)c(Br)c2)n1
InChIInChI=1S/C9H9BrN4/c1-14-3-2-8(13-14)6-4-7(10)9(11)12-5-6/h2-5H,1H3,(H2,11,12)
InChIKeyCMZPKUSNUNVUSS-UHFFFAOYSA-N
XLogP1.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-bromopyridin-3-ol;3-ethyl-1-methylpyrazole
CID 164859709
methyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate
CID 170556001
5-bromo-2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)pyridine
CID 168964997
(2-amino-5-chloro-3-pyridinyl)-(1-methylpyrazol-3-yl)methanone
CID 65195804
3-(1-methylpyrazol-3-yl)-5-propan-2-ylpyridine
CID 139423359
3-bromo-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 67000967
5-bromo-4-chloro-2-(1-methylpyrazol-3-yl)pyrimidine
CID 66291840
3-(chloromethyl)-5-(1-methylpyrazol-3-yl)pyridine
CID 126484270
3-bromo-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 135319537
2-ethyl-4-(1-methylpyrazol-3-yl)aniline
CID 103131564
3-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine
CID 134317602
methyl 3-(6-amino-5-bromo-3-pyridinyl)benzoate
CID 178039598

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1-methylpyrazol-3-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-(1-methylpyrazol-3-yl)pyridin-2-amine (CID 172631334) is 3-bromo-5-(1-methylpyrazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-(1-methylpyrazol-3-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-(1-methylpyrazol-3-yl)pyridin-2-amine is Cn1ccc(-c2cnc(N)c(Br)c2)n1.
What is the InChIKey of 3-bromo-5-(1-methylpyrazol-3-yl)pyridin-2-amine?
The InChIKey is CMZPKUSNUNVUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4/c1-14-3-2-8(13-14)6-4-7(10)9(11)12-5-6/h2-5H,1H3,(H2,11,12).
What are the key properties of 3-bromo-5-(1-methylpyrazol-3-yl)pyridin-2-amine?
3-bromo-5-(1-methylpyrazol-3-yl)pyridin-2-amine has a molecular weight of 253.10 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1-methylpyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 172631334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).