(2R)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]butan-1-ol

C12H14BrN3O — CID 86816154

IUPAC(2R)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]butan-1-ol
SMILESCC[C@H](CO)Nc1ccnc2cc(Br)cnc12
InChIInChI=1S/C12H14BrN3O/c1-2-9(7-17)16-10-3-4-14-11-5-8(13)6-15-12(10)11/h3-6,9,17H,2,7H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyLDQZJEGQFOSTPU-SECBINFHSA-N
MW296.17 g/mol
LogP2.58
Rot. Bonds4

About (2R)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]butan-1-ol

(2R)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]butan-1-ol (PubChem CID 86816154) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is (2R)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]butan-1-ol
PubChem CID86816154
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name(2R)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]butan-1-ol
SMILESCC[C@H](CO)Nc1ccnc2cc(Br)cnc12
InChIInChI=1S/C12H14BrN3O/c1-2-9(7-17)16-10-3-4-14-11-5-8(13)6-15-12(10)11/h3-6,9,17H,2,7H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyLDQZJEGQFOSTPU-SECBINFHSA-N
XLogP2.58
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]butan-1-ol?
The IUPAC name of (2R)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]butan-1-ol (CID 86816154) is (2R)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]butan-1-ol?
The canonical SMILES for (2R)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]butan-1-ol is CC[C@H](CO)Nc1ccnc2cc(Br)cnc12.
What is the InChIKey of (2R)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]butan-1-ol?
The InChIKey is LDQZJEGQFOSTPU-SECBINFHSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-2-9(7-17)16-10-3-4-14-11-5-8(13)6-15-12(10)11/h3-6,9,17H,2,7H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]butan-1-ol?
(2R)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]butan-1-ol has a molecular weight of 296.17 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(7-bromo-1,5-naphthyridin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 86816154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).