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

C10H15ClN2O — CID 115702068

IUPAC1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol
SMILESCCC(O)CCNc1ncccc1Cl
InChIInChI=1S/C10H15ClN2O/c1-2-8(14)5-7-13-10-9(11)4-3-6-12-10/h3-4,6,8,14H,2,5,7H2,1H3,(H,12,13)
InChIKeyFJXULMTZFRMUDL-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.31
Rot. Bonds5

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

1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol (PubChem CID 115702068) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol.

Molecular Properties

Compound Name1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol
PubChem CID115702068
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol
SMILESCCC(O)CCNc1ncccc1Cl
InChIInChI=1S/C10H15ClN2O/c1-2-8(14)5-7-13-10-9(11)4-3-6-12-10/h3-4,6,8,14H,2,5,7H2,1H3,(H,12,13)
InChIKeyFJXULMTZFRMUDL-UHFFFAOYSA-N
XLogP2.31
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3,3-difluoropropyl)pyridin-2-amine
CID 130735662
3-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 65030223
N-(3-chloro-2-pyridinyl)-2-ethylhexanamide
CID 103943579
1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol
CID 113498154
1-(pyridazin-3-ylamino)pentan-3-ol
CID 115702161
(2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol
CID 93033854
(2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine
CID 142991116
3-chloro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617517
2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide
CID 43402545
3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63838521
4-[(3-amino-2-pyridinyl)amino]-1-methoxybutan-2-ol
CID 106243050
1-(3-chloro-2-pyridinyl)-3-propylurea
CID 103886211

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol?
The IUPAC name of 1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol (CID 115702068) is 1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol.
What is the SMILES notation for 1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol?
The canonical SMILES for 1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol is CCC(O)CCNc1ncccc1Cl.
What is the InChIKey of 1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol?
The InChIKey is FJXULMTZFRMUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-2-8(14)5-7-13-10-9(11)4-3-6-12-10/h3-4,6,8,14H,2,5,7H2,1H3,(H,12,13).
What are the key properties of 1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol?
1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol has a molecular weight of 214.70 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol is sourced from PubChem (CID 115702068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).