3-bromo-4-[(4,4-difluorocyclohexyl)methyl]pyridine;3-bromopyridin-4-amine

C17H19Br2F2N3 — CID 161233460

IUPAC3-bromo-4-[(4,4-difluorocyclohexyl)methyl]pyridine;3-bromopyridin-4-amine
SMILESFC1(F)CCC(Cc2ccncc2Br)CC1.Nc1ccncc1Br
InChIInChI=1S/C12H14BrF2N.C5H5BrN2/c13-11-8-16-6-3-10(11)7-9-1-4-12(14,15)5-2-9;6-4-3-8-2-1-5(4)7/h3,6,8-9H,1-2,4-5,7H2;1-3H,(H2,7,8)
InChIKeyUZBGXNIUJCYMDH-UHFFFAOYSA-N
MW463.16 g/mol
LogP5.64
Rot. Bonds2

About 3-bromo-4-[(4,4-difluorocyclohexyl)methyl]pyridine;3-bromopyridin-4-amine

3-bromo-4-[(4,4-difluorocyclohexyl)methyl]pyridine;3-bromopyridin-4-amine (PubChem CID 161233460) has the molecular formula C17H19Br2F2N3 and a molecular weight of 463.16 g/mol. Its IUPAC name is 3-bromo-4-[(4,4-difluorocyclohexyl)methyl]pyridine;3-bromopyridin-4-amine.

Molecular Properties

Compound Name3-bromo-4-[(4,4-difluorocyclohexyl)methyl]pyridine;3-bromopyridin-4-amine
PubChem CID161233460
Molecular FormulaC17H19Br2F2N3
Molecular Weight463.16 g/mol
Exact Mass460.99
IUPAC Name3-bromo-4-[(4,4-difluorocyclohexyl)methyl]pyridine;3-bromopyridin-4-amine
SMILESFC1(F)CCC(Cc2ccncc2Br)CC1.Nc1ccncc1Br
InChIInChI=1S/C12H14BrF2N.C5H5BrN2/c13-11-8-16-6-3-10(11)7-9-1-4-12(14,15)5-2-9;6-4-3-8-2-1-5(4)7/h3,6,8-9H,1-2,4-5,7H2;1-3H,(H2,7,8)
InChIKeyUZBGXNIUJCYMDH-UHFFFAOYSA-N
XLogP5.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.16
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-Bromo-2-(4-fluoro-phenyl)-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
CID 44399242
Piperazine, 1-(3-amino-5-bromo-4-pyridyl)-4-(p-tolyl)-
CID 97232
4-bromo-N-[phenyl(pyridin-4-yl)methyl]aniline;hydrochloride
CID 24747389
(R)-2-(2,5-difluorophenyl)-1-(1-(pyridin-4-yl)piperidin-4-yl)ethanamine
CID 53325399
5-Bromo-2,3'-bipyridine
CID 11390677
1-[[4-[2-[4-[(4-Aminopyridin-1-ium-1-yl)methyl]phenyl]ethyl]phenyl]methyl]pyridin-1-ium-4-amine dibromide
CID 10792883
2-Phenyl-6-(pyridin-2-ylmethyl)pyridin-4-amine
CID 54585747
2,10-Diaza-14,20-diazoniatetracyclo[18.2.2.211,14.14,8]heptacosa-1(23),4(27),5,7,11,13,20(24),21,25-nonaene dibromide
CID 118724719
[(RS)-1-(5-bromo-pyridin-2-yl)-2,2,2-trifluoro-ethyl]-((RS)-4-pyrrolidin-3-yl-phenyl)-amine
CID 68325405
Piperidine, 1-(3-amino-4-pyridyl)-4-phenyl-
CID 203471
Piperazine, 1-(3-amino-4-pyridyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-
CID 203770
6,6'-Dibromo-2,3'-bipyridine
CID 42552980

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(4,4-difluorocyclohexyl)methyl]pyridine;3-bromopyridin-4-amine?
The IUPAC name of 3-bromo-4-[(4,4-difluorocyclohexyl)methyl]pyridine;3-bromopyridin-4-amine (CID 161233460) is 3-bromo-4-[(4,4-difluorocyclohexyl)methyl]pyridine;3-bromopyridin-4-amine.
What is the SMILES notation for 3-bromo-4-[(4,4-difluorocyclohexyl)methyl]pyridine;3-bromopyridin-4-amine?
The canonical SMILES for 3-bromo-4-[(4,4-difluorocyclohexyl)methyl]pyridine;3-bromopyridin-4-amine is FC1(F)CCC(Cc2ccncc2Br)CC1.Nc1ccncc1Br.
What is the InChIKey of 3-bromo-4-[(4,4-difluorocyclohexyl)methyl]pyridine;3-bromopyridin-4-amine?
The InChIKey is UZBGXNIUJCYMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2N.C5H5BrN2/c13-11-8-16-6-3-10(11)7-9-1-4-12(14,15)5-2-9;6-4-3-8-2-1-5(4)7/h3,6,8-9H,1-2,4-5,7H2;1-3H,(H2,7,8).
What are the key properties of 3-bromo-4-[(4,4-difluorocyclohexyl)methyl]pyridine;3-bromopyridin-4-amine?
3-bromo-4-[(4,4-difluorocyclohexyl)methyl]pyridine;3-bromopyridin-4-amine has a molecular weight of 463.16 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(4,4-difluorocyclohexyl)methyl]pyridine;3-bromopyridin-4-amine is sourced from PubChem (CID 161233460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).