[(3R)-4-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzoxazin-3-yl]methanol

C14H13ClN2O2 — CID 141130960

IUPAC[(3R)-4-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzoxazin-3-yl]methanol
SMILESOC[C@@H]1COc2ccccc2N1c1ncccc1Cl
InChIInChI=1S/C14H13ClN2O2/c15-11-4-3-7-16-14(11)17-10(8-18)9-19-13-6-2-1-5-12(13)17/h1-7,10,18H,8-9H2/t10-/m1/s1
InChIKeyWWAJIMSBDGZAJW-SNVBAGLBSA-N
MW276.72 g/mol
LogP2.63
Rot. Bonds2

About [(3R)-4-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzoxazin-3-yl]methanol

[(3R)-4-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzoxazin-3-yl]methanol (PubChem CID 141130960) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is [(3R)-4-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzoxazin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-4-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzoxazin-3-yl]methanol
PubChem CID141130960
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name[(3R)-4-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzoxazin-3-yl]methanol
SMILESOC[C@@H]1COc2ccccc2N1c1ncccc1Cl
InChIInChI=1S/C14H13ClN2O2/c15-11-4-3-7-16-14(11)17-10(8-18)9-19-13-6-2-1-5-12(13)17/h1-7,10,18H,8-9H2/t10-/m1/s1
InChIKeyWWAJIMSBDGZAJW-SNVBAGLBSA-N
XLogP2.63
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-4-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzoxazin-3-yl]methanol?
The IUPAC name of [(3R)-4-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzoxazin-3-yl]methanol (CID 141130960) is [(3R)-4-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzoxazin-3-yl]methanol.
What is the SMILES notation for [(3R)-4-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzoxazin-3-yl]methanol?
The canonical SMILES for [(3R)-4-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzoxazin-3-yl]methanol is OC[C@@H]1COc2ccccc2N1c1ncccc1Cl.
What is the InChIKey of [(3R)-4-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzoxazin-3-yl]methanol?
The InChIKey is WWAJIMSBDGZAJW-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-11-4-3-7-16-14(11)17-10(8-18)9-19-13-6-2-1-5-12(13)17/h1-7,10,18H,8-9H2/t10-/m1/s1.
What are the key properties of [(3R)-4-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzoxazin-3-yl]methanol?
[(3R)-4-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzoxazin-3-yl]methanol has a molecular weight of 276.72 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzoxazin-3-yl]methanol is sourced from PubChem (CID 141130960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).