4-[(6-amino-5-ethanimidoyl-3-pyridinyl)oxymethyl]-3-chloro-5-fluoropyridin-2-amine

C13H13ClFN5O — CID 171465706

IUPAC4-[(6-amino-5-ethanimidoyl-3-pyridinyl)oxymethyl]-3-chloro-5-fluoropyridin-2-amine
SMILES[H]/N=C(\C)c1cc(OCc2c(F)cnc(N)c2Cl)cnc1N
InChIInChI=1S/C13H13ClFN5O/c1-6(16)8-2-7(3-19-12(8)17)21-5-9-10(15)4-20-13(18)11(9)14/h2-4,16H,5H2,1H3,(H2,17,19)(H2,18,20)/b16-6+
InChIKeyIQSOAEYHZVKYRB-OMCISZLKSA-N
MW309.73 g/mol
LogP2.40
Rot. Bonds4

About 4-[(6-amino-5-ethanimidoyl-3-pyridinyl)oxymethyl]-3-chloro-5-fluoropyridin-2-amine

4-[(6-amino-5-ethanimidoyl-3-pyridinyl)oxymethyl]-3-chloro-5-fluoropyridin-2-amine (PubChem CID 171465706) has the molecular formula C13H13ClFN5O and a molecular weight of 309.73 g/mol. Its IUPAC name is 4-[(6-amino-5-ethanimidoyl-3-pyridinyl)oxymethyl]-3-chloro-5-fluoropyridin-2-amine.

Molecular Properties

Compound Name4-[(6-amino-5-ethanimidoyl-3-pyridinyl)oxymethyl]-3-chloro-5-fluoropyridin-2-amine
PubChem CID171465706
Molecular FormulaC13H13ClFN5O
Molecular Weight309.73 g/mol
Exact Mass309.08
IUPAC Name4-[(6-amino-5-ethanimidoyl-3-pyridinyl)oxymethyl]-3-chloro-5-fluoropyridin-2-amine
SMILES[H]/N=C(\C)c1cc(OCc2c(F)cnc(N)c2Cl)cnc1N
InChIInChI=1S/C13H13ClFN5O/c1-6(16)8-2-7(3-19-12(8)17)21-5-9-10(15)4-20-13(18)11(9)14/h2-4,16H,5H2,1H3,(H2,17,19)(H2,18,20)/b16-6+
InChIKeyIQSOAEYHZVKYRB-OMCISZLKSA-N
XLogP2.40
TPSA110.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 164593281
CID 164593281
2-chloro-5-ethanimidoylpyridin-4-amine
CID 144767803
5-[(3-amino-2,6-difluorophenyl)methoxy]-3-[(E)-1-phenylbut-1-enyl]pyridin-2-amine
CID 164593563
5-[(2,3,5,6-tetrafluorophenyl)methoxy]pyrimidin-2-amine
CID 142722134
butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane
CID 144767802
2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane
CID 145019698
5-bromo-3-[(2-chloro-3,6-difluorophenyl)methoxy]pyridin-2-amine
CID 21111491
6-bromo-4-ethanimidoylpyridin-3-amine
CID 143774873
3-ethanimidoyl-6-(2,3,5,6-tetrafluorophenyl)pyridin-2-amine
CID 145192695
2-ethanimidoyl-5-fluoro-4-propan-2-yloxyaniline
CID 144694376
2-ethanimidoyl-6-fluoroaniline
CID 143652831
3-[(5-chloro-3-pyridinyl)oxymethyl]-2-fluorobenzenecarboximidamide
CID 107118213

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-5-ethanimidoyl-3-pyridinyl)oxymethyl]-3-chloro-5-fluoropyridin-2-amine?
The IUPAC name of 4-[(6-amino-5-ethanimidoyl-3-pyridinyl)oxymethyl]-3-chloro-5-fluoropyridin-2-amine (CID 171465706) is 4-[(6-amino-5-ethanimidoyl-3-pyridinyl)oxymethyl]-3-chloro-5-fluoropyridin-2-amine.
What is the SMILES notation for 4-[(6-amino-5-ethanimidoyl-3-pyridinyl)oxymethyl]-3-chloro-5-fluoropyridin-2-amine?
The canonical SMILES for 4-[(6-amino-5-ethanimidoyl-3-pyridinyl)oxymethyl]-3-chloro-5-fluoropyridin-2-amine is [H]/N=C(\C)c1cc(OCc2c(F)cnc(N)c2Cl)cnc1N.
What is the InChIKey of 4-[(6-amino-5-ethanimidoyl-3-pyridinyl)oxymethyl]-3-chloro-5-fluoropyridin-2-amine?
The InChIKey is IQSOAEYHZVKYRB-OMCISZLKSA-N. The full InChI is InChI=1S/C13H13ClFN5O/c1-6(16)8-2-7(3-19-12(8)17)21-5-9-10(15)4-20-13(18)11(9)14/h2-4,16H,5H2,1H3,(H2,17,19)(H2,18,20)/b16-6+.
What are the key properties of 4-[(6-amino-5-ethanimidoyl-3-pyridinyl)oxymethyl]-3-chloro-5-fluoropyridin-2-amine?
4-[(6-amino-5-ethanimidoyl-3-pyridinyl)oxymethyl]-3-chloro-5-fluoropyridin-2-amine has a molecular weight of 309.73 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-5-ethanimidoyl-3-pyridinyl)oxymethyl]-3-chloro-5-fluoropyridin-2-amine is sourced from PubChem (CID 171465706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).