1-(2,2-difluoroethanimidoyl)-6-imino-5-methylpyridin-3-amine

C8H10F2N4 — CID 144749911

IUPAC1-(2,2-difluoroethanimidoyl)-6-imino-5-methylpyridin-3-amine
SMILES[H]/N=C(\C(F)F)n1cc(N)cc(C)/c1=N\[H]
InChIInChI=1S/C8H10F2N4/c1-4-2-5(11)3-14(7(4)12)8(13)6(9)10/h2-3,6,12-13H,11H2,1H3/b12-7+,13-8+
InChIKeyYOGDABOSOIXCLQ-INOXDZRUSA-N
MW200.19 g/mol
LogP0.95
Rot. Bonds1

About 1-(2,2-difluoroethanimidoyl)-6-imino-5-methylpyridin-3-amine

1-(2,2-difluoroethanimidoyl)-6-imino-5-methylpyridin-3-amine (PubChem CID 144749911) has the molecular formula C8H10F2N4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 1-(2,2-difluoroethanimidoyl)-6-imino-5-methylpyridin-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethanimidoyl)-6-imino-5-methylpyridin-3-amine
PubChem CID144749911
Molecular FormulaC8H10F2N4
Molecular Weight200.19 g/mol
Exact Mass200.09
IUPAC Name1-(2,2-difluoroethanimidoyl)-6-imino-5-methylpyridin-3-amine
SMILES[H]/N=C(\C(F)F)n1cc(N)cc(C)/c1=N\[H]
InChIInChI=1S/C8H10F2N4/c1-4-2-5(11)3-14(7(4)12)8(13)6(9)10/h2-3,6,12-13H,11H2,1H3/b12-7+,13-8+
InChIKeyYOGDABOSOIXCLQ-INOXDZRUSA-N
XLogP0.95
TPSA78.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.95
H-Bond Donors ≤ 53
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

1-Ethanimidoyl-4-(trifluoromethyl)pyridin-2-imine
CID 130374219
1-(3,3-Difluoroprop-1-en-2-yl)-5-ethyl-6-iminopyridin-3-amine
CID 132023575
N-methyl-1-prop-1-en-2-yl-3-(trifluoromethyl)pyridin-2-imine
CID 156651628
2-[4-(difluoromethyl)-6-methylidene-1H-pyrimidin-2-yl]prop-1-en-1-amine
CID 173996447
1-(2,2-Difluoropropanimidoyl)pyridin-2-imine
CID 153536704
(3Z)-5,5-difluoro-6-imino-6-(2-imino-5-methyl-1-pyridinyl)hexa-1,3-diene-1,1,4-triamine
CID 154483109
1-Ethanimidoyl-5-ethyl-6-iminopyridin-3-amine
CID 130256682
6-imino-1-methanimidoyl-N,5-dimethylpyridin-3-amine
CID 162364116

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethanimidoyl)-6-imino-5-methylpyridin-3-amine?
The IUPAC name of 1-(2,2-difluoroethanimidoyl)-6-imino-5-methylpyridin-3-amine (CID 144749911) is 1-(2,2-difluoroethanimidoyl)-6-imino-5-methylpyridin-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethanimidoyl)-6-imino-5-methylpyridin-3-amine?
The canonical SMILES for 1-(2,2-difluoroethanimidoyl)-6-imino-5-methylpyridin-3-amine is [H]/N=C(\C(F)F)n1cc(N)cc(C)/c1=N\[H].
What is the InChIKey of 1-(2,2-difluoroethanimidoyl)-6-imino-5-methylpyridin-3-amine?
The InChIKey is YOGDABOSOIXCLQ-INOXDZRUSA-N. The full InChI is InChI=1S/C8H10F2N4/c1-4-2-5(11)3-14(7(4)12)8(13)6(9)10/h2-3,6,12-13H,11H2,1H3/b12-7+,13-8+.
What are the key properties of 1-(2,2-difluoroethanimidoyl)-6-imino-5-methylpyridin-3-amine?
1-(2,2-difluoroethanimidoyl)-6-imino-5-methylpyridin-3-amine has a molecular weight of 200.19 g/mol, XLogP of 0.95, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethanimidoyl)-6-imino-5-methylpyridin-3-amine is sourced from PubChem (CID 144749911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).