(2-bromo-6-fluorophenyl)-(2-methylpyrazol-3-yl)methanamine

C11H11BrFN3 — CID 114886847

IUPAC(2-bromo-6-fluorophenyl)-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)c1c(F)cccc1Br
InChIInChI=1S/C11H11BrFN3/c1-16-9(5-6-15-16)11(14)10-7(12)3-2-4-8(10)13/h2-6,11H,14H2,1H3
InChIKeyCCGSCPWKDRURKE-UHFFFAOYSA-N
MW284.13 g/mol
LogP2.37
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-(2-methylpyrazol-3-yl)methanamine

(2-bromo-6-fluorophenyl)-(2-methylpyrazol-3-yl)methanamine (PubChem CID 114886847) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(2-methylpyrazol-3-yl)methanamine
PubChem CID114886847
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC Name(2-bromo-6-fluorophenyl)-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)c1c(F)cccc1Br
InChIInChI=1S/C11H11BrFN3/c1-16-9(5-6-15-16)11(14)10-7(12)3-2-4-8(10)13/h2-6,11H,14H2,1H3
InChIKeyCCGSCPWKDRURKE-UHFFFAOYSA-N
XLogP2.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114886665
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 79522981
(2-bromo-6-fluorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 114885789
(3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 63963313
(2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 107945853
(2-bromo-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanamine
CID 114558834
2-(2-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 63962245
furan-2-yl-(2-methylpyrazol-3-yl)methanamine
CID 63962037
(2-bromo-6-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 114886872
(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanamine
CID 106464783
(2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 115799135

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of (2-bromo-6-fluorophenyl)-(2-methylpyrazol-3-yl)methanamine (CID 114886847) is (2-bromo-6-fluorophenyl)-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(2-methylpyrazol-3-yl)methanamine is Cn1nccc1C(N)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is CCGSCPWKDRURKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3/c1-16-9(5-6-15-16)11(14)10-7(12)3-2-4-8(10)13/h2-6,11H,14H2,1H3.
What are the key properties of (2-bromo-6-fluorophenyl)-(2-methylpyrazol-3-yl)methanamine?
(2-bromo-6-fluorophenyl)-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 284.13 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 114886847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).