3-[(3-chloro-4-pyridinyl)amino]butan-2-ol

C9H13ClN2O — CID 126992331

IUPAC3-[(3-chloro-4-pyridinyl)amino]butan-2-ol
SMILESCC(O)C(C)Nc1ccncc1Cl
InChIInChI=1S/C9H13ClN2O/c1-6(7(2)13)12-9-3-4-11-5-8(9)10/h3-7,13H,1-2H3,(H,11,12)
InChIKeyLHFDSOWBGDWODX-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.92
Rot. Bonds3

About 3-[(3-chloro-4-pyridinyl)amino]butan-2-ol

3-[(3-chloro-4-pyridinyl)amino]butan-2-ol (PubChem CID 126992331) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-[(3-chloro-4-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name3-[(3-chloro-4-pyridinyl)amino]butan-2-ol
PubChem CID126992331
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name3-[(3-chloro-4-pyridinyl)amino]butan-2-ol
SMILESCC(O)C(C)Nc1ccncc1Cl
InChIInChI=1S/C9H13ClN2O/c1-6(7(2)13)12-9-3-4-11-5-8(9)10/h3-7,13H,1-2H3,(H,11,12)
InChIKeyLHFDSOWBGDWODX-UHFFFAOYSA-N
XLogP1.92
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

2-[(3-chloro-4-pyridinyl)amino]propan-1-ol
CID 79838859
3-chloro-N-(1-cyclopentylethyl)pyridin-4-amine
CID 79840715
3-(3-hydroxybutan-2-ylamino)pyridine-4-carbonitrile
CID 130963996
3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 79769972
3-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-4-amine
CID 79839779
3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine
CID 79840895
2-N-(3-chloro-4-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 79841294
methyl 2-[(3-chloro-4-pyridinyl)amino]-4-methylpentanoate
CID 79840523
3-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 79838916
1-(3-chloro-4-pyridinyl)ethanol
CID 67428643
(1S)-1-(3-chloro-4-pyridinyl)ethanol
CID 59186881
1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol
CID 122159447

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-pyridinyl)amino]butan-2-ol?
The IUPAC name of 3-[(3-chloro-4-pyridinyl)amino]butan-2-ol (CID 126992331) is 3-[(3-chloro-4-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for 3-[(3-chloro-4-pyridinyl)amino]butan-2-ol?
The canonical SMILES for 3-[(3-chloro-4-pyridinyl)amino]butan-2-ol is CC(O)C(C)Nc1ccncc1Cl.
What is the InChIKey of 3-[(3-chloro-4-pyridinyl)amino]butan-2-ol?
The InChIKey is LHFDSOWBGDWODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-6(7(2)13)12-9-3-4-11-5-8(9)10/h3-7,13H,1-2H3,(H,11,12).
What are the key properties of 3-[(3-chloro-4-pyridinyl)amino]butan-2-ol?
3-[(3-chloro-4-pyridinyl)amino]butan-2-ol has a molecular weight of 200.67 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 126992331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).