3-bromo-N-(3,3-difluorocyclobutyl)pyridin-4-amine

C9H9BrF2N2 — CID 130719191

IUPAC3-bromo-N-(3,3-difluorocyclobutyl)pyridin-4-amine
SMILESFC1(F)CC(Nc2ccncc2Br)C1
InChIInChI=1S/C9H9BrF2N2/c10-7-5-13-2-1-8(7)14-6-3-9(11,12)4-6/h1-2,5-6H,3-4H2,(H,13,14)
InChIKeySOXGEWANOTXVFA-UHFFFAOYSA-N
MW263.08 g/mol
LogP3.05
Rot. Bonds2

About 3-bromo-N-(3,3-difluorocyclobutyl)pyridin-4-amine

3-bromo-N-(3,3-difluorocyclobutyl)pyridin-4-amine (PubChem CID 130719191) has the molecular formula C9H9BrF2N2 and a molecular weight of 263.08 g/mol. Its IUPAC name is 3-bromo-N-(3,3-difluorocyclobutyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(3,3-difluorocyclobutyl)pyridin-4-amine
PubChem CID130719191
Molecular FormulaC9H9BrF2N2
Molecular Weight263.08 g/mol
Exact Mass261.99
IUPAC Name3-bromo-N-(3,3-difluorocyclobutyl)pyridin-4-amine
SMILESFC1(F)CC(Nc2ccncc2Br)C1
InChIInChI=1S/C9H9BrF2N2/c10-7-5-13-2-1-8(7)14-6-3-9(11,12)4-6/h1-2,5-6H,3-4H2,(H,13,14)
InChIKeySOXGEWANOTXVFA-UHFFFAOYSA-N
XLogP3.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine
CID 104776650
3-bromo-N-(2,2-dimethyloxan-4-yl)pyridin-4-amine
CID 104777207
3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine
CID 104776939
N-(7-bicyclo[4.1.0]heptanyl)-3-bromopyridin-4-amine
CID 130909438
3-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-4-amine
CID 104777001
3-bromo-N-(2,2-dimethylthietan-3-yl)pyridin-4-amine
CID 130636107
3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine
CID 113452035
3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine
CID 104777077
3-bromo-N-(2-methylpiperidin-3-yl)pyridin-4-amine
CID 114695454
3-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)pyridin-4-amine
CID 104777130
N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine
CID 104777098
3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine
CID 114983465

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,3-difluorocyclobutyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(3,3-difluorocyclobutyl)pyridin-4-amine (CID 130719191) is 3-bromo-N-(3,3-difluorocyclobutyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(3,3-difluorocyclobutyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(3,3-difluorocyclobutyl)pyridin-4-amine is FC1(F)CC(Nc2ccncc2Br)C1.
What is the InChIKey of 3-bromo-N-(3,3-difluorocyclobutyl)pyridin-4-amine?
The InChIKey is SOXGEWANOTXVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2N2/c10-7-5-13-2-1-8(7)14-6-3-9(11,12)4-6/h1-2,5-6H,3-4H2,(H,13,14).
What are the key properties of 3-bromo-N-(3,3-difluorocyclobutyl)pyridin-4-amine?
3-bromo-N-(3,3-difluorocyclobutyl)pyridin-4-amine has a molecular weight of 263.08 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,3-difluorocyclobutyl)pyridin-4-amine is sourced from PubChem (CID 130719191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).