6-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pyridin-3-amine

C12H13FN2 — CID 144929403

IUPAC6-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pyridin-3-amine
SMILESNc1ccc(CC2=C(F)CCC=C2)nc1
InChIInChI=1S/C12H13FN2/c13-12-4-2-1-3-9(12)7-11-6-5-10(14)8-15-11/h1,3,5-6,8H,2,4,7,14H2
InChIKeyJFNDDIOUUQWCRC-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.78
Rot. Bonds2

About 6-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pyridin-3-amine

6-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pyridin-3-amine (PubChem CID 144929403) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 6-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pyridin-3-amine
PubChem CID144929403
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name6-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pyridin-3-amine
SMILESNc1ccc(CC2=C(F)CCC=C2)nc1
InChIInChI=1S/C12H13FN2/c13-12-4-2-1-3-9(12)7-11-6-5-10(14)8-15-11/h1,3,5-6,8H,2,4,7,14H2
InChIKeyJFNDDIOUUQWCRC-UHFFFAOYSA-N
XLogP2.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pyridin-3-amine (CID 144929403) is 6-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pyridin-3-amine is Nc1ccc(CC2=C(F)CCC=C2)nc1.
What is the InChIKey of 6-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pyridin-3-amine?
The InChIKey is JFNDDIOUUQWCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c13-12-4-2-1-3-9(12)7-11-6-5-10(14)8-15-11/h1,3,5-6,8H,2,4,7,14H2.
What are the key properties of 6-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pyridin-3-amine?
6-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pyridin-3-amine has a molecular weight of 204.25 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 144929403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).