N-(2-bromoprop-2-enyl)-5-(difluoromethyl)pyridin-2-amine

C9H9BrF2N2 — CID 130559285

IUPACN-(2-bromoprop-2-enyl)-5-(difluoromethyl)pyridin-2-amine
SMILESC=C(Br)CNc1ccc(C(F)F)cn1
InChIInChI=1S/C9H9BrF2N2/c1-6(10)4-13-8-3-2-7(5-14-8)9(11)12/h2-3,5,9H,1,4H2,(H,13,14)
InChIKeyLUHXJUPKLDSLQA-UHFFFAOYSA-N
MW263.09 g/mol
LogP3.34
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-5-(difluoromethyl)pyridin-2-amine

N-(2-bromoprop-2-enyl)-5-(difluoromethyl)pyridin-2-amine (PubChem CID 130559285) has the molecular formula C9H9BrF2N2 and a molecular weight of 263.09 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-5-(difluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-5-(difluoromethyl)pyridin-2-amine
PubChem CID130559285
Molecular FormulaC9H9BrF2N2
Molecular Weight263.09 g/mol
Exact Mass261.99
IUPAC NameN-(2-bromoprop-2-enyl)-5-(difluoromethyl)pyridin-2-amine
SMILESC=C(Br)CNc1ccc(C(F)F)cn1
InChIInChI=1S/C9H9BrF2N2/c1-6(10)4-13-8-3-2-7(5-14-8)9(11)12/h2-3,5,9H,1,4H2,(H,13,14)
InChIKeyLUHXJUPKLDSLQA-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-4-methylpyridine
CID 1533
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
2-(Benzylamino)pyridine
CID 23362
2,2'-Dipyridylamine
CID 14547
1-(2-Pyridyl)piperazine
CID 94459
2-Amino-5-(trifluoromethyl)pyridine
CID 735862
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2,6-difluorophenyl)ethyl)-
CID 3001078
2-Pyridinamine, N-methyl-
CID 20727
2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-5-(difluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-5-(difluoromethyl)pyridin-2-amine (CID 130559285) is N-(2-bromoprop-2-enyl)-5-(difluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-5-(difluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-5-(difluoromethyl)pyridin-2-amine is C=C(Br)CNc1ccc(C(F)F)cn1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-5-(difluoromethyl)pyridin-2-amine?
The InChIKey is LUHXJUPKLDSLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2N2/c1-6(10)4-13-8-3-2-7(5-14-8)9(11)12/h2-3,5,9H,1,4H2,(H,13,14).
What are the key properties of N-(2-bromoprop-2-enyl)-5-(difluoromethyl)pyridin-2-amine?
N-(2-bromoprop-2-enyl)-5-(difluoromethyl)pyridin-2-amine has a molecular weight of 263.09 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-5-(difluoromethyl)pyridin-2-amine is sourced from PubChem (CID 130559285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).