(2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol

C9H13IN2O — CID 130736106

IUPAC(2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1ncccc1I
InChIInChI=1S/C9H13IN2O/c1-2-7(6-13)12-9-8(10)4-3-5-11-9/h3-5,7,13H,2,6H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyYEFAWILPQOKTED-ZETCQYMHSA-N
MW292.12 g/mol
LogP1.87
Rot. Bonds4

About (2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol

(2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol (PubChem CID 130736106) has the molecular formula C9H13IN2O and a molecular weight of 292.12 g/mol. Its IUPAC name is (2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol
PubChem CID130736106
Molecular FormulaC9H13IN2O
Molecular Weight292.12 g/mol
Exact Mass292.01
IUPAC Name(2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1ncccc1I
InChIInChI=1S/C9H13IN2O/c1-2-7(6-13)12-9-8(10)4-3-5-11-9/h3-5,7,13H,2,6H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyYEFAWILPQOKTED-ZETCQYMHSA-N
XLogP1.87
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 51.87
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

2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol
CID 82341853
(2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol
CID 93033854
2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide
CID 133434655
2-[(3-methyl-2-pyridinyl)amino]propane-1,3-diol
CID 65314837
(2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol
CID 131154572
2-[(2-nitro-3-pyridinyl)amino]butan-1-ol
CID 115585333
1-[(3-iodo-2-pyridinyl)amino]propan-2-ol
CID 130724684
2-[(5-amino-7-methylisoquinolin-1-yl)amino]butan-1-ol
CID 82570347
3-methoxy-N-(1-methoxybutan-2-yl)pyridin-2-amine
CID 115923094
(2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
CID 175667937
3-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 114155563
3-hydroxy-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 60923596

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of (2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol (CID 130736106) is (2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for (2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol is CC[C@@H](CO)Nc1ncccc1I.
What is the InChIKey of (2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol?
The InChIKey is YEFAWILPQOKTED-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13IN2O/c1-2-7(6-13)12-9-8(10)4-3-5-11-9/h3-5,7,13H,2,6H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol?
(2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol has a molecular weight of 292.12 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 130736106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).