4-(3-chloro-4-fluorophenyl)-6-propylpyrimidine-2-carbonitrile

C14H11ClFN3 — CID 69047818

IUPAC4-(3-chloro-4-fluorophenyl)-6-propylpyrimidine-2-carbonitrile
SMILESCCCc1cc(-c2ccc(F)c(Cl)c2)nc(C#N)n1
InChIInChI=1S/C14H11ClFN3/c1-2-3-10-7-13(19-14(8-17)18-10)9-4-5-12(16)11(15)6-9/h4-7H,2-3H2,1H3
InChIKeyYVTAPJXKSRVQEL-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.76
Rot. Bonds3

About 4-(3-chloro-4-fluorophenyl)-6-propylpyrimidine-2-carbonitrile

4-(3-chloro-4-fluorophenyl)-6-propylpyrimidine-2-carbonitrile (PubChem CID 69047818) has the molecular formula C14H11ClFN3 and a molecular weight of 275.71 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-6-propylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-6-propylpyrimidine-2-carbonitrile
PubChem CID69047818
Molecular FormulaC14H11ClFN3
Molecular Weight275.71 g/mol
Exact Mass275.06
IUPAC Name4-(3-chloro-4-fluorophenyl)-6-propylpyrimidine-2-carbonitrile
SMILESCCCc1cc(-c2ccc(F)c(Cl)c2)nc(C#N)n1
InChIInChI=1S/C14H11ClFN3/c1-2-3-10-7-13(19-14(8-17)18-10)9-4-5-12(16)11(15)6-9/h4-7H,2-3H2,1H3
InChIKeyYVTAPJXKSRVQEL-UHFFFAOYSA-N
XLogP3.76
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 63484860
4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole
CID 116967860
4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine
CID 113324799
4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carbonitrile
CID 57468700
3,5-dichloro-6-(3-chloro-4-fluorophenyl)-N-ethylpyridin-2-amine
CID 102753798
4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine
CID 113324784
[2-chloro-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]methanol
CID 90062081
N-[[3-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 55035889
4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine
CID 114052976
4,6-dichloro-8-fluoro-2-propylquinoline
CID 43668690
4-(3,4-dimethylphenyl)-6-[3-(propan-2-ylamino)propyl]pyrimidine-2-carbonitrile
CID 69047729
2-(3-chloro-4-fluorophenyl)-5-propyl-1,3-thiazole-4-carbaldehyde
CID 122476503

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-6-propylpyrimidine-2-carbonitrile?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-6-propylpyrimidine-2-carbonitrile (CID 69047818) is 4-(3-chloro-4-fluorophenyl)-6-propylpyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-6-propylpyrimidine-2-carbonitrile?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-6-propylpyrimidine-2-carbonitrile is CCCc1cc(-c2ccc(F)c(Cl)c2)nc(C#N)n1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-6-propylpyrimidine-2-carbonitrile?
The InChIKey is YVTAPJXKSRVQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3/c1-2-3-10-7-13(19-14(8-17)18-10)9-4-5-12(16)11(15)6-9/h4-7H,2-3H2,1H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-6-propylpyrimidine-2-carbonitrile?
4-(3-chloro-4-fluorophenyl)-6-propylpyrimidine-2-carbonitrile has a molecular weight of 275.71 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-6-propylpyrimidine-2-carbonitrile is sourced from PubChem (CID 69047818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).