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

C9H13ClN2O — CID 93033854

IUPAC(2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1ncccc1Cl
InChIInChI=1S/C9H13ClN2O/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
InChIKeyFHYZYZHEXPOMRE-ZETCQYMHSA-N
MW200.67 g/mol
LogP1.92
Rot. Bonds4

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

(2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol (PubChem CID 93033854) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is (2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol
PubChem CID93033854
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name(2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1ncccc1Cl
InChIInChI=1S/C9H13ClN2O/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
InChIKeyFHYZYZHEXPOMRE-ZETCQYMHSA-N
XLogP1.92
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol
CID 130736106
2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol
CID 82341853
2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63261066
(2S)-2-[(3-chloro-2-pyridinyl)amino]pent-4-en-1-ol
CID 124616320
3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 115689298
3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63838521
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-chloro-2-pyridinyl)amino]pentan-3-ol
CID 115702068
3-chloro-N-pent-4-yn-2-ylpyridin-2-amine
CID 115689385

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of (2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol (CID 93033854) is (2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for (2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol is CC[C@@H](CO)Nc1ncccc1Cl.
What is the InChIKey of (2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol?
The InChIKey is FHYZYZHEXPOMRE-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13ClN2O/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-chloro-2-pyridinyl)amino]butan-1-ol?
(2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 93033854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).