4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol

C11H14ClIN2O — CID 66937023

IUPAC4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(I)c(Cl)cn2)CC1
InChIInChI=1S/C11H14ClIN2O/c12-9-6-14-11(5-10(9)13)15-7-1-3-8(16)4-2-7/h5-8,16H,1-4H2,(H,14,15)
InChIKeyQGVMDJPDADZSDR-UHFFFAOYSA-N
MW352.60 g/mol
LogP3.06
Rot. Bonds2

About 4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol

4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 66937023) has the molecular formula C11H14ClIN2O and a molecular weight of 352.60 g/mol. Its IUPAC name is 4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol
PubChem CID66937023
Molecular FormulaC11H14ClIN2O
Molecular Weight352.60 g/mol
Exact Mass351.98
IUPAC Name4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(I)c(Cl)cn2)CC1
InChIInChI=1S/C11H14ClIN2O/c12-9-6-14-11(5-10(9)13)15-7-1-3-8(16)4-2-7/h5-8,16H,1-4H2,(H,14,15)
InChIKeyQGVMDJPDADZSDR-UHFFFAOYSA-N
XLogP3.06
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.60
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[(5-chloro-4-iodo-2-pyridinyl)amino]piperidine-1-carboxylate
CID 66936969
4-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol
CID 167426088
4-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 115265146
4-[(5-chloro-4-iodo-2-pyridinyl)amino]-1-methylsulfonylpiperidin-3-ol
CID 155600042
4-[(2,6-dichloropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 52904812
4-[(6-bromopyrimidin-4-yl)amino]cyclohexan-1-ol
CID 104966810
4-[(6-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 104966807
4-[(4-methyl-2-pyridinyl)amino]cyclohexan-1-ol
CID 58548584
4-[[5-chloro-4-[4-chloro-3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexan-1-ol
CID 67694551
4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 87174143
6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile
CID 24704980
5-chloro-2-(oxan-4-ylamino)pyridine-4-carboxylic acid
CID 114919257

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol (CID 66937023) is 4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol is OC1CCC(Nc2cc(I)c(Cl)cn2)CC1.
What is the InChIKey of 4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is QGVMDJPDADZSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClIN2O/c12-9-6-14-11(5-10(9)13)15-7-1-3-8(16)4-2-7/h5-8,16H,1-4H2,(H,14,15).
What are the key properties of 4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol?
4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol has a molecular weight of 352.60 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 66937023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).