4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine

C19H17ClN2O — CID 90118273

IUPAC4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine
SMILESCC(C)Oc1ccc(-c2cc(Cl)cc(-c3cccnc3)n2)cc1
InChIInChI=1S/C19H17ClN2O/c1-13(2)23-17-7-5-14(6-8-17)18-10-16(20)11-19(22-18)15-4-3-9-21-12-15/h3-13H,1-2H3
InChIKeyNVNIHIZECUQPFB-UHFFFAOYSA-N
MW324.81 g/mol
LogP5.25
Rot. Bonds4

About 4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine

4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine (PubChem CID 90118273) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine.

Molecular Properties

Compound Name4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine
PubChem CID90118273
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine
SMILESCC(C)Oc1ccc(-c2cc(Cl)cc(-c3cccnc3)n2)cc1
InChIInChI=1S/C19H17ClN2O/c1-13(2)23-17-7-5-14(6-8-17)18-10-16(20)11-19(22-18)15-4-3-9-21-12-15/h3-13H,1-2H3
InChIKeyNVNIHIZECUQPFB-UHFFFAOYSA-N
XLogP5.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.81
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-6-(4-propan-2-yloxyphenyl)-2-pyridinyl]pyrimidine
CID 90118179
3-(4-propan-2-yloxyphenyl)pyridine
CID 91807940
4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine
CID 177437339
4-propan-2-yloxy-2-pyridin-3-ylbenzaldehyde
CID 172651049
6-pyridin-3-ylpyrimidine-2,4-diamine
CID 90189944
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798269
2,4-diphenyl-6-pyridin-3-ylpyridine
CID 3477432
2-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136891299
5-(4-methoxyphenyl)-2-pyridin-3-ylpyridine
CID 59027680
3-(6-chloronaphthalen-2-yl)pyridine
CID 173397093
4-(3-chloro-4-methoxyphenyl)-6-pyridin-3-ylpyrimidin-2-amine
CID 58626083
4-chloro-6-(4-propan-2-yloxyphenyl)pyrimidine
CID 24902044

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine?
The IUPAC name of 4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine (CID 90118273) is 4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine.
What is the SMILES notation for 4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine?
The canonical SMILES for 4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine is CC(C)Oc1ccc(-c2cc(Cl)cc(-c3cccnc3)n2)cc1.
What is the InChIKey of 4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine?
The InChIKey is NVNIHIZECUQPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-13(2)23-17-7-5-14(6-8-17)18-10-16(20)11-19(22-18)15-4-3-9-21-12-15/h3-13H,1-2H3.
What are the key properties of 4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine?
4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine has a molecular weight of 324.81 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-propan-2-yloxyphenyl)-6-pyridin-3-ylpyridine is sourced from PubChem (CID 90118273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).