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

C10H15ClN2O — CID 115689298

IUPAC3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
SMILESCC(CO)C(C)Nc1ncccc1Cl
InChIInChI=1S/C10H15ClN2O/c1-7(6-14)8(2)13-10-9(11)4-3-5-12-10/h3-5,7-8,14H,6H2,1-2H3,(H,12,13)
InChIKeyGKCJCPXJMGYGPU-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.16
Rot. Bonds4

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

3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol (PubChem CID 115689298) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
PubChem CID115689298
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol
SMILESCC(CO)C(C)Nc1ncccc1Cl
InChIInChI=1S/C10H15ClN2O/c1-7(6-14)8(2)13-10-9(11)4-3-5-12-10/h3-5,7-8,14H,6H2,1-2H3,(H,12,13)
InChIKeyGKCJCPXJMGYGPU-UHFFFAOYSA-N
XLogP2.16
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63838521
(2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol
CID 93033854
2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide
CID 115643931
2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol
CID 115644022
3-chloro-N-pent-4-yn-2-ylpyridin-2-amine
CID 115689385
2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63261066
3-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106282806
(2S)-2-[(3-chloro-2-pyridinyl)amino]pent-4-en-1-ol
CID 124616320
methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate
CID 43515165
3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine
CID 60701697
(2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine
CID 142991116
3-chloro-N-(4-methylsulfonylbutan-2-yl)pyridin-2-amine
CID 133386738

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol?
The IUPAC name of 3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol (CID 115689298) is 3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol is CC(CO)C(C)Nc1ncccc1Cl.
What is the InChIKey of 3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol?
The InChIKey is GKCJCPXJMGYGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-7(6-14)8(2)13-10-9(11)4-3-5-12-10/h3-5,7-8,14H,6H2,1-2H3,(H,12,13).
What are the key properties of 3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol?
3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol has a molecular weight of 214.70 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-pyridinyl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 115689298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).