(2S)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propan-1-ol

C8H12ClN3O — CID 130613603

IUPAC(2S)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propan-1-ol
SMILESC[C@@](N)(CO)c1ncc(Cl)cc1N
InChIInChI=1S/C8H12ClN3O/c1-8(11,4-13)7-6(10)2-5(9)3-12-7/h2-3,13H,4,10-11H2,1H3/t8-/m1/s1
InChIKeyNPAWGJXJFRSVIX-MRVPVSSYSA-N
MW201.66 g/mol
LogP0.48
Rot. Bonds2

About (2S)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propan-1-ol

(2S)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propan-1-ol (PubChem CID 130613603) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propan-1-ol
PubChem CID130613603
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name(2S)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propan-1-ol
SMILESC[C@@](N)(CO)c1ncc(Cl)cc1N
InChIInChI=1S/C8H12ClN3O/c1-8(11,4-13)7-6(10)2-5(9)3-12-7/h2-3,13H,4,10-11H2,1H3/t8-/m1/s1
InChIKeyNPAWGJXJFRSVIX-MRVPVSSYSA-N
XLogP0.48
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propanoic acid
CID 130865698
2-(3,5-dichloro-2-pyridinyl)propan-2-amine
CID 130160714
2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106251512
(2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)propan-1-ol
CID 130742500
(2S)-2-amino-2-(2-amino-5-chlorophenyl)propan-1-ol
CID 130690062
2,5-dichloropyridin-3-amine
CID 2799999
(2R)-2-amino-2-(5,6-dichloro-3-pyridinyl)propan-1-ol
CID 130613594
(2R)-2-amino-2-(2-amino-5-chloro-3-pyridinyl)ethanol
CID 130710939
3-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 140754648
4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol
CID 106840375
5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 79021487
(2R)-2-amino-2-(2,4,6-trichlorophenyl)propan-1-ol
CID 131218511

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propan-1-ol (CID 130613603) is (2S)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propan-1-ol is C[C@@](N)(CO)c1ncc(Cl)cc1N.
What is the InChIKey of (2S)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propan-1-ol?
The InChIKey is NPAWGJXJFRSVIX-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-8(11,4-13)7-6(10)2-5(9)3-12-7/h2-3,13H,4,10-11H2,1H3/t8-/m1/s1.
What are the key properties of (2S)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propan-1-ol?
(2S)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propan-1-ol has a molecular weight of 201.66 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 130613603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).