7-amino-5-(3,4-difluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile

C14H9F2N5O2 — CID 134156014

IUPAC7-amino-5-(3,4-difluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#CC1=C(N)Nc2[nH]c(=O)[nH]c(=O)c2C1c1ccc(F)c(F)c1
InChIInChI=1S/C14H9F2N5O2/c15-7-2-1-5(3-8(7)16)9-6(4-17)11(18)19-12-10(9)13(22)21-14(23)20-12/h1-3,9H,18H2,(H3,19,20,21,22,23)
InChIKeyXTKYBBOJWYZSPG-UHFFFAOYSA-N
MW317.26 g/mol
LogP0.59
Rot. Bonds1

About 7-amino-5-(3,4-difluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile

7-amino-5-(3,4-difluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 134156014) has the molecular formula C14H9F2N5O2 and a molecular weight of 317.26 g/mol. Its IUPAC name is 7-amino-5-(3,4-difluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(3,4-difluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID134156014
Molecular FormulaC14H9F2N5O2
Molecular Weight317.26 g/mol
Exact Mass317.07
IUPAC Name7-amino-5-(3,4-difluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#CC1=C(N)Nc2[nH]c(=O)[nH]c(=O)c2C1c1ccc(F)c(F)c1
InChIInChI=1S/C14H9F2N5O2/c15-7-2-1-5(3-8(7)16)9-6(4-17)11(18)19-12-10(9)13(22)21-14(23)20-12/h1-3,9H,18H2,(H3,19,20,21,22,23)
InChIKeyXTKYBBOJWYZSPG-UHFFFAOYSA-N
XLogP0.59
TPSA127.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(3,4-difluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-(3,4-difluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile (CID 134156014) is 7-amino-5-(3,4-difluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(3,4-difluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(3,4-difluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile is N#CC1=C(N)Nc2[nH]c(=O)[nH]c(=O)c2C1c1ccc(F)c(F)c1.
What is the InChIKey of 7-amino-5-(3,4-difluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is XTKYBBOJWYZSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N5O2/c15-7-2-1-5(3-8(7)16)9-6(4-17)11(18)19-12-10(9)13(22)21-14(23)20-12/h1-3,9H,18H2,(H3,19,20,21,22,23).
What are the key properties of 7-amino-5-(3,4-difluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
7-amino-5-(3,4-difluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 317.26 g/mol, XLogP of 0.59, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(3,4-difluorophenyl)-2,4-dioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 134156014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).