[1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol

C12H16BrClN2O — CID 114836032

IUPAC[1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
SMILESOCC1(CNc2ncc(Cl)cc2Br)CCCC1
InChIInChI=1S/C12H16BrClN2O/c13-10-5-9(14)6-15-11(10)16-7-12(8-17)3-1-2-4-12/h5-6,17H,1-4,7-8H2,(H,15,16)
InChIKeyOJNYKSGZJNQVOP-UHFFFAOYSA-N
MW319.63 g/mol
LogP3.46
Rot. Bonds4

About [1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol

[1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol (PubChem CID 114836032) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is [1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
PubChem CID114836032
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name[1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
SMILESOCC1(CNc2ncc(Cl)cc2Br)CCCC1
InChIInChI=1S/C12H16BrClN2O/c13-10-5-9(14)6-15-11(10)16-7-12(8-17)3-1-2-4-12/h5-6,17H,1-4,7-8H2,(H,15,16)
InChIKeyOJNYKSGZJNQVOP-UHFFFAOYSA-N
XLogP3.46
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol with MolForge

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-3-bromo-5-chloropyridin-2-amine
CID 114838734
1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 114835960
3-bromo-5-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]pyridin-2-amine
CID 114838647
[1-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 115454140
[1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 103968689
[1-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968793
[1-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 104507130
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 79728355
3-bromo-5-chloro-N-(cyclopropylmethyl)pyridin-2-amine
CID 114835596
[1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115361870
5-amino-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-3-carbonitrile
CID 103468880

Frequently Asked Questions

What is the IUPAC name of [1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol (CID 114836032) is [1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol is OCC1(CNc2ncc(Cl)cc2Br)CCCC1.
What is the InChIKey of [1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol?
The InChIKey is OJNYKSGZJNQVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c13-10-5-9(14)6-15-11(10)16-7-12(8-17)3-1-2-4-12/h5-6,17H,1-4,7-8H2,(H,15,16).
What are the key properties of [1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol?
[1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol has a molecular weight of 319.63 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 114836032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).