A 77-01

CAT: 0127-BUP02345-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP02345-01Size:1 mg

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CAS Number

607737-87-1

Synonyms

A77-01

Purity

=95%

Smiles

Cc1cccc(n1)-c1n[nH]cc1-c1ccnc2ccccc12

Chemical Information

4-(3-(6-Methylpyridin-2-yl)-1H-pyrazol-4-yl)quinoline

CAS Number	607737-87-1
PubChem CID	10469233
IUPAC Name	4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline
Molecular Formula	C18H14N4
Molecular Weight	286.3
XLogP	3.1
Topological Polar Surface Area	54.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	374

SMILES

CC1=NC(=CC=C1)C2=C(C=NN2)C3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C18H14N4/c1-12-5-4-8-17(21-12)18-15(11-20-22-18)13-9-10-19-16-7-3-2-6-14(13)16/h2-11H,1H3,(H,20,22)

InChIKey

KJTYZDORHCDZPS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 607737-87-1

CID: 10469233

Formula: C18H14N4

MW: 286.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	286.3
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	286.121846464
Monoisotopic Mass	286.121846464
Topological Polar Surface Area	54.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	374
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes