(2R)-1-[(6-chloro-3,5-difluoro-2-pyridinyl)methylamino]butan-2-ol

C10H13ClF2N2O — CID 154680545

IUPAC(2R)-1-[(6-chloro-3,5-difluoro-2-pyridinyl)methylamino]butan-2-ol
SMILESCC[C@@H](O)CNCc1nc(Cl)c(F)cc1F
InChIInChI=1S/C10H13ClF2N2O/c1-2-6(16)4-14-5-9-7(12)3-8(13)10(11)15-9/h3,6,14,16H,2,4-5H2,1H3/t6-/m1/s1
InChIKeyFJTGSJOZYXAGOL-ZCFIWIBFSA-N
MW250.68 g/mol
LogP1.87
Rot. Bonds5

About (2R)-1-[(6-chloro-3,5-difluoro-2-pyridinyl)methylamino]butan-2-ol

(2R)-1-[(6-chloro-3,5-difluoro-2-pyridinyl)methylamino]butan-2-ol (PubChem CID 154680545) has the molecular formula C10H13ClF2N2O and a molecular weight of 250.68 g/mol. Its IUPAC name is (2R)-1-[(6-chloro-3,5-difluoro-2-pyridinyl)methylamino]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(6-chloro-3,5-difluoro-2-pyridinyl)methylamino]butan-2-ol
PubChem CID154680545
Molecular FormulaC10H13ClF2N2O
Molecular Weight250.68 g/mol
Exact Mass250.07
IUPAC Name(2R)-1-[(6-chloro-3,5-difluoro-2-pyridinyl)methylamino]butan-2-ol
SMILESCC[C@@H](O)CNCc1nc(Cl)c(F)cc1F
InChIInChI=1S/C10H13ClF2N2O/c1-2-6(16)4-14-5-9-7(12)3-8(13)10(11)15-9/h3,6,14,16H,2,4-5H2,1H3/t6-/m1/s1
InChIKeyFJTGSJOZYXAGOL-ZCFIWIBFSA-N
XLogP1.87
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6-chloro-3,5-difluoro-2-pyridinyl)methylamino]butan-2-ol?
The IUPAC name of (2R)-1-[(6-chloro-3,5-difluoro-2-pyridinyl)methylamino]butan-2-ol (CID 154680545) is (2R)-1-[(6-chloro-3,5-difluoro-2-pyridinyl)methylamino]butan-2-ol.
What is the SMILES notation for (2R)-1-[(6-chloro-3,5-difluoro-2-pyridinyl)methylamino]butan-2-ol?
The canonical SMILES for (2R)-1-[(6-chloro-3,5-difluoro-2-pyridinyl)methylamino]butan-2-ol is CC[C@@H](O)CNCc1nc(Cl)c(F)cc1F.
What is the InChIKey of (2R)-1-[(6-chloro-3,5-difluoro-2-pyridinyl)methylamino]butan-2-ol?
The InChIKey is FJTGSJOZYXAGOL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13ClF2N2O/c1-2-6(16)4-14-5-9-7(12)3-8(13)10(11)15-9/h3,6,14,16H,2,4-5H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-1-[(6-chloro-3,5-difluoro-2-pyridinyl)methylamino]butan-2-ol?
(2R)-1-[(6-chloro-3,5-difluoro-2-pyridinyl)methylamino]butan-2-ol has a molecular weight of 250.68 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6-chloro-3,5-difluoro-2-pyridinyl)methylamino]butan-2-ol is sourced from PubChem (CID 154680545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).