4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol

C12H16BrFN2O — CID 106129928

IUPAC4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNc2ncc(Br)cc2F)CC1
InChIInChI=1S/C12H16BrFN2O/c13-9-5-11(14)12(16-7-9)15-6-8-1-3-10(17)4-2-8/h5,7-8,10,17H,1-4,6H2,(H,15,16)
InChIKeyPXRNVXSYQIPBLK-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.95
Rot. Bonds3

About 4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol

4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol (PubChem CID 106129928) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is 4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
PubChem CID106129928
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNc2ncc(Br)cc2F)CC1
InChIInChI=1S/C12H16BrFN2O/c13-9-5-11(14)12(16-7-9)15-6-8-1-3-10(17)4-2-8/h5,7-8,10,17H,1-4,6H2,(H,15,16)
InChIKeyPXRNVXSYQIPBLK-UHFFFAOYSA-N
XLogP2.95
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106130548
N-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine
CID 114047966
5-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluoropyridin-2-amine
CID 104923956
3-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 112675958
5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine
CID 114046501
5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 104924301
5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine
CID 104924052
N-[(4-aminocyclohexyl)methyl]-5-chloro-3-fluoropyridin-2-amine
CID 114147330
4-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138848
5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine
CID 103582514
5-bromo-N-[(4-ethylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796009
3-bromo-5-chloro-N-(cyclopropylmethyl)pyridin-2-amine
CID 114835596

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol (CID 106129928) is 4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol is OC1CCC(CNc2ncc(Br)cc2F)CC1.
What is the InChIKey of 4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is PXRNVXSYQIPBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c13-9-5-11(14)12(16-7-9)15-6-8-1-3-10(17)4-2-8/h5,7-8,10,17H,1-4,6H2,(H,15,16).
What are the key properties of 4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 303.18 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106129928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).