(1Z)-3-fluoro-1-(2-imino-4-methyl-1-pyridinyl)buta-1,3-dien-1-amine

C10H12FN3 — CID 166775040

IUPAC(1Z)-3-fluoro-1-(2-imino-4-methyl-1-pyridinyl)buta-1,3-dien-1-amine
SMILES[H]/N=c1\cc(C)ccn1/C(N)=C\C(=C)F
InChIInChI=1S/C10H12FN3/c1-7-3-4-14(9(12)5-7)10(13)6-8(2)11/h3-6,12H,2,13H2,1H3/b10-6-,12-9+
InChIKeyXGXAVCNJVSWZHM-ZQNGMKBSSA-N
MW193.22 g/mol
LogP1.52
Rot. Bonds2

About (1Z)-3-fluoro-1-(2-imino-4-methyl-1-pyridinyl)buta-1,3-dien-1-amine

(1Z)-3-fluoro-1-(2-imino-4-methyl-1-pyridinyl)buta-1,3-dien-1-amine (PubChem CID 166775040) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is (1Z)-3-fluoro-1-(2-imino-4-methyl-1-pyridinyl)buta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-3-fluoro-1-(2-imino-4-methyl-1-pyridinyl)buta-1,3-dien-1-amine
PubChem CID166775040
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name(1Z)-3-fluoro-1-(2-imino-4-methyl-1-pyridinyl)buta-1,3-dien-1-amine
SMILES[H]/N=c1\cc(C)ccn1/C(N)=C\C(=C)F
InChIInChI=1S/C10H12FN3/c1-7-3-4-14(9(12)5-7)10(13)6-8(2)11/h3-6,12H,2,13H2,1H3/b10-6-,12-9+
InChIKeyXGXAVCNJVSWZHM-ZQNGMKBSSA-N
XLogP1.52
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-3-fluoro-1-(2-imino-4-methyl-1-pyridinyl)buta-1,3-dien-1-amine?
The IUPAC name of (1Z)-3-fluoro-1-(2-imino-4-methyl-1-pyridinyl)buta-1,3-dien-1-amine (CID 166775040) is (1Z)-3-fluoro-1-(2-imino-4-methyl-1-pyridinyl)buta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-3-fluoro-1-(2-imino-4-methyl-1-pyridinyl)buta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-3-fluoro-1-(2-imino-4-methyl-1-pyridinyl)buta-1,3-dien-1-amine is [H]/N=c1\cc(C)ccn1/C(N)=C\C(=C)F.
What is the InChIKey of (1Z)-3-fluoro-1-(2-imino-4-methyl-1-pyridinyl)buta-1,3-dien-1-amine?
The InChIKey is XGXAVCNJVSWZHM-ZQNGMKBSSA-N. The full InChI is InChI=1S/C10H12FN3/c1-7-3-4-14(9(12)5-7)10(13)6-8(2)11/h3-6,12H,2,13H2,1H3/b10-6-,12-9+.
What are the key properties of (1Z)-3-fluoro-1-(2-imino-4-methyl-1-pyridinyl)buta-1,3-dien-1-amine?
(1Z)-3-fluoro-1-(2-imino-4-methyl-1-pyridinyl)buta-1,3-dien-1-amine has a molecular weight of 193.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-fluoro-1-(2-imino-4-methyl-1-pyridinyl)buta-1,3-dien-1-amine is sourced from PubChem (CID 166775040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).