N,1-bis[(3,4-difluorophenyl)methyl]pyridin-4-imine

C19H14F4N2 — CID 24798013

IUPACN,1-bis[(3,4-difluorophenyl)methyl]pyridin-4-imine
SMILESFc1ccc(CN=c2ccn(Cc3ccc(F)c(F)c3)cc2)cc1F
InChIInChI=1S/C19H14F4N2/c20-16-3-1-13(9-18(16)22)11-24-15-5-7-25(8-6-15)12-14-2-4-17(21)19(23)10-14/h1-10H,11-12H2
InChIKeyCNISMFNCNGHSAK-UHFFFAOYSA-N
MW346.33 g/mol
LogP4.19
Rot. Bonds4

About N,1-bis[(3,4-difluorophenyl)methyl]pyridin-4-imine

N,1-bis[(3,4-difluorophenyl)methyl]pyridin-4-imine (PubChem CID 24798013) has the molecular formula C19H14F4N2 and a molecular weight of 346.33 g/mol. Its IUPAC name is N,1-bis[(3,4-difluorophenyl)methyl]pyridin-4-imine.

Molecular Properties

Compound NameN,1-bis[(3,4-difluorophenyl)methyl]pyridin-4-imine
PubChem CID24798013
Molecular FormulaC19H14F4N2
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC NameN,1-bis[(3,4-difluorophenyl)methyl]pyridin-4-imine
SMILESFc1ccc(CN=c2ccn(Cc3ccc(F)c(F)c3)cc2)cc1F
InChIInChI=1S/C19H14F4N2/c20-16-3-1-13(9-18(16)22)11-24-15-5-7-25(8-6-15)12-14-2-4-17(21)19(23)10-14/h1-10H,11-12H2
InChIKeyCNISMFNCNGHSAK-UHFFFAOYSA-N
XLogP4.19
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1-bis[(3,4-difluorophenyl)methyl]pyridin-4-imine?
The IUPAC name of N,1-bis[(3,4-difluorophenyl)methyl]pyridin-4-imine (CID 24798013) is N,1-bis[(3,4-difluorophenyl)methyl]pyridin-4-imine.
What is the SMILES notation for N,1-bis[(3,4-difluorophenyl)methyl]pyridin-4-imine?
The canonical SMILES for N,1-bis[(3,4-difluorophenyl)methyl]pyridin-4-imine is Fc1ccc(CN=c2ccn(Cc3ccc(F)c(F)c3)cc2)cc1F.
What is the InChIKey of N,1-bis[(3,4-difluorophenyl)methyl]pyridin-4-imine?
The InChIKey is CNISMFNCNGHSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2/c20-16-3-1-13(9-18(16)22)11-24-15-5-7-25(8-6-15)12-14-2-4-17(21)19(23)10-14/h1-10H,11-12H2.
What are the key properties of N,1-bis[(3,4-difluorophenyl)methyl]pyridin-4-imine?
N,1-bis[(3,4-difluorophenyl)methyl]pyridin-4-imine has a molecular weight of 346.33 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis[(3,4-difluorophenyl)methyl]pyridin-4-imine is sourced from PubChem (CID 24798013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).