4-(5-chloro-3-fluoro-2-pyridinyl)morpholine-2-carboximidamide

C10H12ClFN4O — CID 79727211

IUPAC4-(5-chloro-3-fluoro-2-pyridinyl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(c2ncc(Cl)cc2F)CCO1
InChIInChI=1S/C10H12ClFN4O/c11-6-3-7(12)10(15-4-6)16-1-2-17-8(5-16)9(13)14/h3-4,8H,1-2,5H2,(H3,13,14)
InChIKeyOVQZSAXNSYNVGH-UHFFFAOYSA-N
MW258.68 g/mol
LogP1.02
Rot. Bonds2

About 4-(5-chloro-3-fluoro-2-pyridinyl)morpholine-2-carboximidamide

4-(5-chloro-3-fluoro-2-pyridinyl)morpholine-2-carboximidamide (PubChem CID 79727211) has the molecular formula C10H12ClFN4O and a molecular weight of 258.68 g/mol. Its IUPAC name is 4-(5-chloro-3-fluoro-2-pyridinyl)morpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(5-chloro-3-fluoro-2-pyridinyl)morpholine-2-carboximidamide
PubChem CID79727211
Molecular FormulaC10H12ClFN4O
Molecular Weight258.68 g/mol
Exact Mass258.07
IUPAC Name4-(5-chloro-3-fluoro-2-pyridinyl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(c2ncc(Cl)cc2F)CCO1
InChIInChI=1S/C10H12ClFN4O/c11-6-3-7(12)10(15-4-6)16-1-2-17-8(5-16)9(13)14/h3-4,8H,1-2,5H2,(H3,13,14)
InChIKeyOVQZSAXNSYNVGH-UHFFFAOYSA-N
XLogP1.02
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[(2S)-4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanol
CID 96546282
[4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanamine
CID 79718053
4-(5-iodopyrimidin-4-yl)morpholine-2-carboximidamide
CID 79675597
4-pyridin-2-ylmorpholine-2-carboximidamide
CID 79676161
4-(4,6-dimethylpyrimidin-2-yl)morpholine-2-carboximidamide
CID 79676340
4-quinazolin-2-ylmorpholine-2-carboximidamide
CID 114788809
4-(1-methylimidazo[4,5-c]pyridin-4-yl)morpholine-2-carboximidamide
CID 103385326
1-(3,5-difluoro-2-pyridinyl)piperidine-3-carboximidamide
CID 112675527
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine-2-carboximidamide
CID 79676627
1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 79727259
1-(3,5-difluoro-2-pyridinyl)piperidine-4-carboximidamide
CID 112675528
1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpiperidin-4-amine
CID 79867696

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-fluoro-2-pyridinyl)morpholine-2-carboximidamide?
The IUPAC name of 4-(5-chloro-3-fluoro-2-pyridinyl)morpholine-2-carboximidamide (CID 79727211) is 4-(5-chloro-3-fluoro-2-pyridinyl)morpholine-2-carboximidamide.
What is the SMILES notation for 4-(5-chloro-3-fluoro-2-pyridinyl)morpholine-2-carboximidamide?
The canonical SMILES for 4-(5-chloro-3-fluoro-2-pyridinyl)morpholine-2-carboximidamide is [H]/N=C(\N)C1CN(c2ncc(Cl)cc2F)CCO1.
What is the InChIKey of 4-(5-chloro-3-fluoro-2-pyridinyl)morpholine-2-carboximidamide?
The InChIKey is OVQZSAXNSYNVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN4O/c11-6-3-7(12)10(15-4-6)16-1-2-17-8(5-16)9(13)14/h3-4,8H,1-2,5H2,(H3,13,14).
What are the key properties of 4-(5-chloro-3-fluoro-2-pyridinyl)morpholine-2-carboximidamide?
4-(5-chloro-3-fluoro-2-pyridinyl)morpholine-2-carboximidamide has a molecular weight of 258.68 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-fluoro-2-pyridinyl)morpholine-2-carboximidamide is sourced from PubChem (CID 79727211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).