(3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine

C12H14ClN3O — CID 169304957

IUPAC(3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine
SMILES[C-]#[N+]Cc1cc(Cl)nc(N2CCOC[C@H]2C)c1
InChIInChI=1S/C12H14ClN3O/c1-9-8-17-4-3-16(9)12-6-10(7-14-2)5-11(13)15-12/h5-6,9H,3-4,7-8H2,1H3/t9-/m1/s1
InChIKeyWZFLTQGFPSTJAT-SECBINFHSA-N
MW251.72 g/mol
LogP2.38
Rot. Bonds2

About (3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine

(3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine (PubChem CID 169304957) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is (3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine
PubChem CID169304957
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name(3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine
SMILES[C-]#[N+]Cc1cc(Cl)nc(N2CCOC[C@H]2C)c1
InChIInChI=1S/C12H14ClN3O/c1-9-8-17-4-3-16(9)12-6-10(7-14-2)5-11(13)15-12/h5-6,9H,3-4,7-8H2,1H3/t9-/m1/s1
InChIKeyWZFLTQGFPSTJAT-SECBINFHSA-N
XLogP2.38
TPSA29.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-4-[2-chloro-6-(isocyanomethyl)pyrimidin-4-yl]-3-methylmorpholine
CID 169304968
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
(3R)-4-[4-(isocyanomethyl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 169061240
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
4-[6-(chloromethyl)-2-pyridinyl]-3-methylmorpholine
CID 62255022
[2-(3-methylmorpholin-4-yl)-6-propan-2-yl-4-pyridinyl]methanamine
CID 113381355
4-[6-(chloromethyl)pyrazin-2-yl]-3-methylmorpholine
CID 66467326
4-chloro-1-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-one
CID 121448447
N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
CID 146533977
(3R)-4-[3-chloro-7-(2-isocyanopropan-2-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]-3-methylmorpholine
CID 169061207

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine (CID 169304957) is (3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine is [C-]#[N+]Cc1cc(Cl)nc(N2CCOC[C@H]2C)c1.
What is the InChIKey of (3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine?
The InChIKey is WZFLTQGFPSTJAT-SECBINFHSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-9-8-17-4-3-16(9)12-6-10(7-14-2)5-11(13)15-12/h5-6,9H,3-4,7-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine?
(3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine has a molecular weight of 251.72 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[6-chloro-4-(isocyanomethyl)-2-pyridinyl]-3-methylmorpholine is sourced from PubChem (CID 169304957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).