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

C11H14ClIN2O — CID 167426088

IUPAC4-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(Cl)ncc2I)CC1
InChIInChI=1S/C11H14ClIN2O/c12-11-5-10(9(13)6-14-11)15-7-1-3-8(16)4-2-7/h5-8,16H,1-4H2,(H,14,15)
InChIKeyUPYRJIPSNXSZPB-UHFFFAOYSA-N
MW352.60 g/mol
LogP3.06
Rot. Bonds2

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

4-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 167426088) has the molecular formula C11H14ClIN2O and a molecular weight of 352.60 g/mol. Its IUPAC name is 4-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol
PubChem CID167426088
Molecular FormulaC11H14ClIN2O
Molecular Weight352.60 g/mol
Exact Mass351.98
IUPAC Name4-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(Cl)ncc2I)CC1
InChIInChI=1S/C11H14ClIN2O/c12-11-5-10(9(13)6-14-11)15-7-1-3-8(16)4-2-7/h5-8,16H,1-4H2,(H,14,15)
InChIKeyUPYRJIPSNXSZPB-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[6-chloro-4-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-cyclopropylmethanone
CID 167425557
4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol
CID 66937023
4-[[2-chloro-5-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]amino]cyclohexan-1-ol
CID 167425719
N-[6-chloro-4-(cyclohexylamino)-3-pyridinyl]hydroxylamine
CID 129270998
4-[[2-chloro-5-(3-pyrrolidin-1-ylprop-1-ynyl)-4-pyridinyl]amino]cyclohexan-1-ol
CID 167427009
4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 103721709
4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 87174143
5-bromo-2-chloro-N-cyclohexylpyridin-4-amine
CID 153365884
1-[6-chloro-4-(cyclopentylamino)-3-pyridinyl]ethanol
CID 139580446
4-(2-amino-4-chloroanilino)cyclohexan-1-ol
CID 18509767
6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 176871377
tert-butyl N-[4-[(5-amino-2-chloro-4-pyridinyl)amino]cyclohexyl]carbamate
CID 163220169

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol (CID 167426088) is 4-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol is OC1CCC(Nc2cc(Cl)ncc2I)CC1.
What is the InChIKey of 4-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is UPYRJIPSNXSZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClIN2O/c12-11-5-10(9(13)6-14-11)15-7-1-3-8(16)4-2-7/h5-8,16H,1-4H2,(H,14,15).
What are the key properties of 4-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol?
4-[(2-chloro-5-iodo-4-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-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 167426088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).